N-[1-[[1-[(1-cyclohexyl-3-oxidanyl-5-propan-2-yl-hept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-[[1-[(1-cyclohexyl-3-oxidanyl-5-propan-2-yl-hept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-benzyl-2-[[2-[[1-(cyclohexylmethyl)-2-hydroxy-4-isopropyl-hex-5-enyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: N-[1-[[1-[(1-cyclohexyl-3-hydroxy-5-propan-2-ylhept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[[1-[(1-cyclohexyl-3-hydroxy-5-propan-2-ylhept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-benzyl-2-[[2-[[1-(cyclohexylmethyl)-2-hydroxy-4-isopropyl-hex-5-enyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]quinaldamide Formula: C41H52N6O4 MolecularWeight: 692.88938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4)O)C=C

Isomeric SMILES

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4)O)C=C

InChI

InChI=1S/C41H52N6O4/c1-4-30(27(2)3)23-38(48)35(21-28-13-7-5-8-14-28)45-41(51)37(24-32-25-42-26-43-32)47-40(50)36(22-29-15-9-6-10-16-29)46-39(49)34-20-19-31-17-11-12-18-33(31)44-34/h4,6,9-12,15-20,25-28,30,35-38,48H,1,5,7-8,13-14,21-24H2,2-3H3,(H,42,43)(H,45,51)(H,46,49)(H,47,50)