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

Systemtic Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methoxyphenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide Openeye Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methoxyphenyl)-4-(1-piperidyl)piperidine-1-carbohydrazide CAS Name: N'-[4-(1-azepanyl)-2-pyrimidinyl]-N-(3-methoxyphenyl)-4-(1-piperidinyl)-1-piperidinecarbohydrazide IUPAC Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methoxyphenyl)-4-piperidin-1-ylpiperidine-1-carbohydrazide Traditional Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-methoxyphenyl)-4-piperidino-piperidine-1-carbohydrazide Formula: C28H41N7O2 MolecularWeight: 507.67084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N(C(=O)N2CCC(CC2)N3CCCCC3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C28H41N7O2/c1-37-25-11-9-10-24(22-25)35(28(36)34-20-13-23(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/h9-12,15,22-23H,2-8,13-14,16-21H2,1H3,(H,29,30,31)