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

Systemtic Name: N-(2-azanylcyclohexyl)-3-(cyclopentylcarbonylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-(cyclopentanecarbonylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[cyclopentyl(oxo)methyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-(cyclopentanecarbonylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(cyclopentanecarbonylamino)-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C28H39N7O2 MolecularWeight: 505.65496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H39N7O2/c29-23-8-3-4-9-24(23)32-27(37)21-10-11-22(25(18-21)33-26(36)20-6-1-2-7-20)19-34-14-16-35(17-15-34)28-30-12-5-13-31-28/h5,10-13,18,20,23-24H,1-4,6-9,14-17,19,29H2,(H,32,37)(H,33,36)