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

Systemtic Name: N-(2-azanylcyclohexyl)-3-(cyclohexylcarbonylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-(cyclohexanecarbonylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[cyclohexyl(oxo)methyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-(cyclohexanecarbonylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(cyclohexanecarbonylamino)-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C29H41N7O2 MolecularWeight: 519.68154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C29H41N7O2/c30-24-9-4-5-10-25(24)33-28(38)22-11-12-23(26(19-22)34-27(37)21-7-2-1-3-8-21)20-35-15-17-36(18-16-35)29-31-13-6-14-32-29/h6,11-14,19,21,24-25H,1-5,7-10,15-18,20,30H2,(H,33,38)(H,34,37)