4-[[3-(3-methylbutoxy)phenyl]methylidene]-N-pyridazin-3-yl-piperidine-1-carboxamide

Systemtic Name: 4-[[3-(3-methylbutoxy)phenyl]methylidene]-N-pyridazin-3-yl-piperidine-1-carboxamide Openeye Name: 4-[(3-isopentyloxyphenyl)methylene]-N-pyridazin-3-yl-piperidine-1-carboxamide CAS Name: 4-[[3-(3-methylbutoxy)phenyl]methylidene]-N-(3-pyridazinyl)-1-piperidinecarboxamide IUPAC Name: 4-[[3-(3-methylbutoxy)phenyl]methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide Traditional Name: 4-(3-isoamoxybenzylidene)-N-pyridazin-3-yl-piperidine-1-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C=C2CCN(CC2)C(=O)NC3=NN=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C=C2CCN(CC2)C(=O)NC3=NN=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-17(2)10-14-28-20-6-3-5-19(16-20)15-18-8-12-26(13-9-18)22(27)24-21-7-4-11-23-25-21/h3-7,11,15-17H,8-10,12-14H2,1-2H3,(H,24,25,27)