N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-piperidine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-piperidine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-piperidine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-methyl-3-piperidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methylpiperidine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-methyl-nipecotamide Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H31N5O/c1-27-13-7-9-19(17-27)23(29)24-20-10-6-8-18(16-20)21-11-12-22(26-25-21)28-14-4-2-3-5-15-28/h6,8,10-12,16,19H,2-5,7,9,13-15,17H2,1H3,(H,24,29)