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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-isonicotinoyl-1,4-diazepan-1-yl)-3-(m-toluoylamino)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=CC=NC=C5

Isomeric SMILES

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

InChI

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