N-[3-(2-azanyl-4-fluoranyl-phenyl)-1-(4-cyclohexyl-4-ethanoyl-piperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-piperazine-2-carboxamide

Systemtic Name: N-[3-(2-azanyl-4-fluoranyl-phenyl)-1-(4-cyclohexyl-4-ethanoyl-piperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-piperazine-2-carboxamide Openeye Name: N-[2-(4-acetyl-4-cyclohexyl-1-piperidyl)-1-[(2-amino-4-fluoro-phenyl)methyl]-2-oxo-ethyl]-4-methyl-piperazine-2-carboxamide CAS Name: N-[1-(4-acetyl-4-cyclohexyl-1-piperidinyl)-3-(2-amino-4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-2-piperazinecarboxamide IUPAC Name: N-[1-(4-acetyl-4-cyclohexylpiperidin-1-yl)-3-(2-amino-4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide Traditional Name: N-[2-(4-acetyl-4-cyclohexyl-piperidino)-1-(2-amino-4-fluoro-benzyl)-2-keto-ethyl]-4-methyl-piperazine-2-carboxamide Formula: C28H42FN5O3 MolecularWeight: 515.663183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C(CC2=C(C=C(C=C2)F)N)NC(=O)C3CN(CCN3)C)C4CCCCC4

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C(CC2=C(C=C(C=C2)F)N)NC(=O)C3CN(CCN3)C)C4CCCCC4

InChI

InChI=1S/C28H42FN5O3/c1-19(35)28(21-6-4-3-5-7-21)10-13-34(14-11-28)27(37)24(16-20-8-9-22(29)17-23(20)30)32-26(36)25-18-33(2)15-12-31-25/h8-9,17,21,24-25,31H,3-7,10-16,18,30H2,1-2H3,(H,32,36)