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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N7O2/c1-37-25-11-9-24(10-12-25)35(28(36)34-21-14-23(15-22-34)32-17-7-4-8-18-32)31-27-29-16-13-26(30-27)33-19-5-2-3-6-20-33/h9-13,16,23H,2-8,14-15,17-22H2,1H3,(H,29,30,31)