N-[2-(azepan-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(1-piperidyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(6-piperidinopyridazin-3-yl)isonipecotamide Formula: C23H38N6O MolecularWeight: 414.58742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H38N6O/c30-23(24-12-19-27-13-4-1-2-5-14-27)20-10-17-29(18-11-20)22-9-8-21(25-26-22)28-15-6-3-7-16-28/h8-9,20H,1-7,10-19H2,(H,24,30)