N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazino]-3-[(2-phenylacetyl)amino]benzamide Formula: C33H36N6O3 MolecularWeight: 564.67734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C33H36N6O3/c34-22-24-6-8-25(9-7-24)33(42)39-18-16-38(17-19-39)30-15-10-26(32(41)36-28-13-11-27(35)12-14-28)21-29(30)37-31(40)20-23-4-2-1-3-5-23/h1-10,15,21,27-28H,11-14,16-20,35H2,(H,36,41)(H,37,40)