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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-isonicotinoylpiperazino)-3-[[2-(4-methoxyphenyl)acetyl]amino]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=CC=NC=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=CC=NC=C5

InChI

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