N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methylphenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methylphenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide Openeye Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(m-tolyl)-4-(1-piperidyl)piperidine-1-carbohydrazide CAS Name: N'-[4-(1-azepanyl)-2-pyrimidinyl]-N-(3-methylphenyl)-4-(1-piperidinyl)-1-piperidinecarbohydrazide IUPAC Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methylphenyl)-4-piperidin-1-ylpiperidine-1-carbohydrazide Traditional Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(m-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=C1)N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C28H41N7O/c1-23-10-9-11-25(22-23)35(28(36)34-20-13-24(14-21-34)32-16-7-4-8-17-32)31-27-29-15-12-26(30-27)33-18-5-2-3-6-19-33/h9-12,15,22,24H,2-8,13-14,16-21H2,1H3,(H,29,30,31)