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

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(3-chlorophenyl)carbonylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(3-chlorobenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(3-chlorophenyl)-oxomethyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(3-chlorobenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-[(3-chlorobenzoyl)amino]-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C29H34ClN7O2 MolecularWeight: 548.07896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=NC=CC=N4)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=NC=CC=N4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H34ClN7O2/c30-23-6-3-5-20(17-23)27(38)35-26-18-21(28(39)34-25-8-2-1-7-24(25)31)9-10-22(26)19-36-13-15-37(16-14-36)29-32-11-4-12-33-29/h3-6,9-12,17-18,24-25H,1-2,7-8,13-16,19,31H2,(H,34,39)(H,35,38)