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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methoxyphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(m-anisoylamino)-4-(4-nicotinoyl-1,4-diazepan-1-yl)benzamide Formula: C32H38N6O4 MolecularWeight: 570.68192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C32H38N6O4/c1-42-27-7-2-5-22(19-27)31(40)36-28-20-23(30(39)35-26-11-9-25(33)10-12-26)8-13-29(28)37-15-4-16-38(18-17-37)32(41)24-6-3-14-34-21-24/h2-3,5-8,13-14,19-21,25-26H,4,9-12,15-18,33H2,1H3,(H,35,39)(H,36,40)