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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-cyanobenzoyl)piperazino]benzamide Formula: C32H34N6O3 MolecularWeight: 550.65076

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C32H34N6O3/c33-21-22-6-8-24(9-7-22)32(41)38-18-16-37(17-19-38)29-15-10-25(31(40)35-27-13-11-26(34)12-14-27)20-28(29)36-30(39)23-4-2-1-3-5-23/h1-10,15,20,26-27H,11-14,16-19,34H2,(H,35,40)(H,36,39)