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

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-methylphenyl)carbonylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(4-methylbenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(4-methylphenyl)-oxomethyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(4-methylbenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(p-toluoylamino)-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C30H37N7O2 MolecularWeight: 527.66048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C30H37N7O2/c1-21-7-9-22(10-8-21)28(38)35-27-19-23(29(39)34-26-6-3-2-5-25(26)31)11-12-24(27)20-36-15-17-37(18-16-36)30-32-13-4-14-33-30/h4,7-14,19,25-26H,2-3,5-6,15-18,20,31H2,1H3,(H,34,39)(H,35,38)