N-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-2-[4-[[2-(4-cyclohexylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-2-[4-[[2-(4-cyclohexylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide Openeye Name: N-(2-amino-2-oxo-1-phenyl-ethyl)-2-[4-[[2-(4-cyclohexylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexanecarboxamide CAS Name: N-(2-amino-2-oxo-1-phenylethyl)-2-[4-[[2-(4-cyclohexyl-1-piperazinyl)-1-benzimidazolyl]methyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-amino-2-oxo-1-phenylethyl)-2-[4-[[2-(4-cyclohexylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide Traditional Name: N-(2-amino-2-keto-1-phenyl-ethyl)-2-[4-[[2-(4-cyclohexylpiperazino)benzimidazol-1-yl]methyl]phenyl]cyclohexanecarboxamide Formula: C39H48N6O2 MolecularWeight: 632.83742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)C6CCCCC6C(=O)NC(C7=CC=CC=C7)C(=O)N

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)C6CCCCC6C(=O)NC(C7=CC=CC=C7)C(=O)N

InChI

InChI=1S/C39H48N6O2/c40-37(46)36(30-11-3-1-4-12-30)42-38(47)33-16-8-7-15-32(33)29-21-19-28(20-22-29)27-45-35-18-10-9-17-34(35)41-39(45)44-25-23-43(24-26-44)31-13-5-2-6-14-31/h1,3-4,9-12,17-22,31-33,36H,2,5-8,13-16,23-27H2,(H2,40,46)(H,42,47)