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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(6-morpholinopyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[6-(4-morpholinyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(6-morpholinopyridazin-3-yl)isonipecotamide Formula: C22H36N6O2 MolecularWeight: 416.56024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H36N6O2/c29-22(23-9-14-26-10-3-1-2-4-11-26)19-7-12-27(13-8-19)20-5-6-21(25-24-20)28-15-17-30-18-16-28/h5-6,19H,1-4,7-18H2,(H,23,29)