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

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazino]benzamide Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H32N6O3/c1-18(34)30-24-16-21(26(35)31-23-9-7-22(29)8-10-23)6-11-25(24)32-12-14-33(15-13-32)27(36)20-4-2-19(17-28)3-5-20/h2-6,11,16,22-23H,7-10,12-15,29H2,1H3,(H,30,34)(H,31,35)