N-(4-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-(4-nicotinoylpiperazino)benzamide Formula: C32H38N6O4 MolecularWeight: 570.68192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

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