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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C22H31N5OS/c28-22(23-11-16-26-12-3-1-2-4-13-26)18-9-14-27(15-10-18)21-8-7-19(24-25-21)20-6-5-17-29-20/h5-8,17-18H,1-4,9-16H2,(H,23,28)