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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5OS/c29-23(24-12-6-15-27-13-3-1-2-4-14-27)19-10-16-28(17-11-19)22-9-8-20(25-26-22)21-7-5-18-30-21/h5,7-9,18-19H,1-4,6,10-17H2,(H,24,29)