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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

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