N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]isonipecotamide Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H31N5O2/c1-18(30)28-15-11-19(12-16-28)24(31)25-21-8-6-7-20(17-21)22-9-10-23(27-26-22)29-13-4-2-3-5-14-29/h6-10,17,19H,2-5,11-16H2,1H3,(H,25,31)