N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-(4-nicotinoylpiperazino)benzamide Formula: C31H33N7O3 MolecularWeight: 551.63882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N7O3/c32-19-21-3-5-22(6-4-21)29(39)36-27-18-23(30(40)35-26-10-8-25(33)9-11-26)7-12-28(27)37-14-16-38(17-15-37)31(41)24-2-1-13-34-20-24/h1-7,12-13,18,20,25-26H,8-11,14-17,33H2,(H,35,40)(H,36,39)