N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(2-methylphenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(2-methylphenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide Openeye Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(o-tolyl)-4-(1-piperidyl)piperidine-1-carbohydrazide CAS Name: N'-[4-(1-azepanyl)-2-pyrimidinyl]-N-(2-methylphenyl)-4-(1-piperidinyl)-1-piperidinecarbohydrazide IUPAC Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(2-methylphenyl)-4-piperidin-1-ylpiperidine-1-carbohydrazide Traditional Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(o-tolyl)-4-piperidino-piperidine-1-carbohydrazide Formula: C28H41N7O MolecularWeight: 491.67144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=CC=CC=C1N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C28H41N7O/c1-23-11-5-6-12-25(23)35(28(36)34-21-14-24(15-22-34)32-17-9-4-10-18-32)31-27-29-16-13-26(30-27)33-19-7-2-3-8-20-33/h5-6,11-13,16,24H,2-4,7-10,14-15,17-22H2,1H3,(H,29,30,31)