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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(3-methylbenzoyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(3-methylbenzoyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-(4-m-toluoylpiperazino)benzamide Formula: C33H36N6O3 MolecularWeight: 564.67734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H36N6O3/c1-22-3-2-4-26(19-22)33(42)39-17-15-38(16-18-39)30-14-9-25(32(41)36-28-12-10-27(35)11-13-28)20-29(30)37-31(40)24-7-5-23(21-34)6-8-24/h2-9,14,19-20,27-28H,10-13,15-18,35H2,1H3,(H,36,41)(H,37,40)