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

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(3,4-dimethoxyphenyl)carbonylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]-3-(veratroylamino)benzamide Formula: C31H39N7O4 MolecularWeight: 573.68586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39N7O4/c1-41-27-11-10-22(19-28(27)42-2)30(40)36-26-18-21(29(39)35-25-7-4-3-6-24(25)32)8-9-23(26)20-37-14-16-38(17-15-37)31-33-12-5-13-34-31/h5,8-13,18-19,24-25H,3-4,6-7,14-17,20,32H2,1-2H3,(H,35,39)(H,36,40)