N-[(3-chlorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-[6-(1-piperidyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-(6-piperidinopyridazin-3-yl)isonipecotamide Formula: C22H28ClN5O MolecularWeight: 413.94362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H28ClN5O/c23-19-6-4-5-17(15-19)16-24-22(29)18-9-13-28(14-10-18)21-8-7-20(25-26-21)27-11-2-1-3-12-27/h4-8,15,18H,1-3,9-14,16H2,(H,24,29)