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

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-methoxyphenyl)carbonylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(4-methoxybenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(4-methoxyphenyl)-oxomethyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(4-methoxybenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(p-anisoylamino)-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C30H37N7O3 MolecularWeight: 543.65988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N7O3/c1-40-24-11-9-21(10-12-24)28(38)35-27-19-22(29(39)34-26-6-3-2-5-25(26)31)7-8-23(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)