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

Systemtic Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(2-ethoxyphenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide Openeye Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(2-ethoxyphenyl)-4-(1-piperidyl)piperidine-1-carbohydrazide CAS Name: N'-[4-(1-azepanyl)-2-pyrimidinyl]-N-(2-ethoxyphenyl)-4-(1-piperidinyl)-1-piperidinecarbohydrazide IUPAC Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(2-ethoxyphenyl)-4-piperidin-1-ylpiperidine-1-carbohydrazide Traditional Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-o-phenetyl-4-piperidino-piperidine-1-carbohydrazide Formula: C29H43N7O2 MolecularWeight: 521.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CCOC1=CC=CC=C1N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C29H43N7O2/c1-2-38-26-13-7-6-12-25(26)36(29(37)35-22-15-24(16-23-35)33-18-10-5-11-19-33)32-28-30-17-14-27(31-28)34-20-8-3-4-9-21-34/h6-7,12-14,17,24H,2-5,8-11,15-16,18-23H2,1H3,(H,30,31,32)