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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3,4-dimethoxyphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-nicotinoylpiperazino)-3-(veratroylamino)benzamide Formula: C32H38N6O5 MolecularWeight: 586.68132

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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)N4CCN(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)N4CCN(CC4)C(=O)C5=CN=CC=C5)OC

InChI

InChI=1S/C32H38N6O5/c1-42-28-12-6-22(19-29(28)43-2)31(40)36-26-18-21(30(39)35-25-9-7-24(33)8-10-25)5-11-27(26)37-14-16-38(17-15-37)32(41)23-4-3-13-34-20-23/h3-6,11-13,18-20,24-25H,7-10,14-17,33H2,1-2H3,(H,35,39)(H,36,40)