N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(m-toluoylamino)-4-(4-nicotinoyl-1,4-diazepan-1-yl)benzamide Formula: C32H38N6O3 MolecularWeight: 554.68252

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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)N4CCCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H38N6O3/c1-22-5-2-6-23(19-22)31(40)36-28-20-24(30(39)35-27-11-9-26(33)10-12-27)8-13-29(28)37-15-4-16-38(18-17-37)32(41)25-7-3-14-34-21-25/h2-3,5-8,13-14,19-21,26-27H,4,9-12,15-18,33H2,1H3,(H,35,39)(H,36,40)