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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3,4-dimethoxyphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-nicotinoyl-1,4-diazepan-1-yl)-3-(veratroylamino)benzamide Formula: C33H40N6O5 MolecularWeight: 600.7079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CN=CC=C5)OC

InChI

InChI=1S/C33H40N6O5/c1-43-29-13-7-23(20-30(29)44-2)32(41)37-27-19-22(31(40)36-26-10-8-25(34)9-11-26)6-12-28(27)38-15-4-16-39(18-17-38)33(42)24-5-3-14-35-21-24/h3,5-7,12-14,19-21,25-26H,4,8-11,15-18,34H2,1-2H3,(H,36,40)(H,37,41)