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

Systemtic Name: N-[3-(azepan-1-yl)butyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)butyl]-1-[6-(1-piperidyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)butyl]-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)butyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)butyl]-1-(6-piperidinopyridazin-3-yl)isonipecotamide Formula: C25H42N6O MolecularWeight: 442.64058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1CCN(CC1)C2=NN=C(C=C2)N3CCCCC3)N4CCCCCC4

Isomeric SMILES

CC(CCNC(=O)C1CCN(CC1)C2=NN=C(C=C2)N3CCCCC3)N4CCCCCC4

InChI

InChI=1S/C25H42N6O/c1-21(29-15-5-2-3-6-16-29)11-14-26-25(32)22-12-19-31(20-13-22)24-10-9-23(27-28-24)30-17-7-4-8-18-30/h9-10,21-22H,2-8,11-20H2,1H3,(H,26,32)