2-azanyl-N-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-[4-[5-oxidanylidene-1-[(2S,3R)-2-oxidanylpentan-3-yl]-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]benzamide

Systemtic Name: 2-azanyl-N-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-[4-[5-oxidanylidene-1-[(2S,3R)-2-oxidanylpentan-3-yl]-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]benzamide Openeye Name: 2-amino-N-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-[4-[1-[(1R,2S)-1-ethyl-2-hydroxy-propyl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]benzamide CAS Name: 2-amino-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-[4-[1-[(2S,3R)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]benzamide IUPAC Name: 2-amino-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-[4-[1-[(2S,3R)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]benzamide Traditional Name: 2-amino-N-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-[4-[1-[(1R,2S)-1-ethyl-2-hydroxy-propyl]-5-keto-1,2,4-triazol-4-yl]phenyl]piperazino]benzamide Formula: C36H42F2N10O4 MolecularWeight: 716.780086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC(=C(C=C4)C(=O)NC(C)C(CN5C=NC=N5)(C6=C(C=C(C=C6)F)F)O)N

Isomeric SMILES

CC[C@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC(=C(C=C4)C(=O)N[C@H](C)[C@](CN5C=NC=N5)(C6=C(C=C(C=C6)F)F)O)N

InChI

InChI=1S/C36H42F2N10O4/c1-4-33(23(2)49)48-35(51)47(22-42-48)27-8-6-26(7-9-27)44-13-15-45(16-14-44)28-10-11-29(32(39)18-28)34(50)43-24(3)36(52,19-46-21-40-20-41-46)30-12-5-25(37)17-31(30)38/h5-12,17-18,20-24,33,49,52H,4,13-16,19,39H2,1-3H3,(H,43,50)/t23-,24+,33+,36+/m0/s1