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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-2-[4-[(2-piperazin-1-yl-1H-benzimidazol-4-yl)methyl]phenyl]cyclohexane-1-carboxamide Openeye Name: N-(2-amino-2-oxo-1-phenyl-ethyl)-2-[4-[(2-piperazin-1-yl-1H-benzimidazol-4-yl)methyl]phenyl]cyclohexanecarboxamide CAS Name: N-(2-amino-2-oxo-1-phenylethyl)-2-[4-[[2-(1-piperazinyl)-1H-benzimidazol-4-yl]methyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-amino-2-oxo-1-phenylethyl)-2-[4-[(2-piperazin-1-yl-1H-benzimidazol-4-yl)methyl]phenyl]cyclohexane-1-carboxamide Traditional Name: N-(2-amino-2-keto-1-phenyl-ethyl)-2-[4-[(2-piperazino-1H-benzimidazol-4-yl)methyl]phenyl]cyclohexanecarboxamide Formula: C33H38N6O2 MolecularWeight: 550.69382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=C(C=C2)CC3=C4C(=CC=C3)NC(=N4)N5CCNCC5)C(=O)NC(C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1CCC(C(C1)C2=CC=C(C=C2)CC3=C4C(=CC=C3)NC(=N4)N5CCNCC5)C(=O)NC(C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C33H38N6O2/c34-31(40)30(24-7-2-1-3-8-24)37-32(41)27-11-5-4-10-26(27)23-15-13-22(14-16-23)21-25-9-6-12-28-29(25)38-33(36-28)39-19-17-35-18-20-39/h1-3,6-9,12-16,26-27,30,35H,4-5,10-11,17-21H2,(H2,34,40)(H,36,38)(H,37,41)