N-(2-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C31H39N7O3 MolecularWeight: 557.68646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C31H39N7O3/c1-41-25-11-7-22(8-12-25)19-29(39)35-28-20-23(30(40)36-27-6-3-2-5-26(27)32)9-10-24(28)21-37-15-17-38(18-16-37)31-33-13-4-14-34-31/h4,7-14,20,26-27H,2-3,5-6,15-19,21,32H2,1H3,(H,35,39)(H,36,40)