4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]-N-(2-pyridylmethyl)butanamide CAS Name: 4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-(2-pyridylmethyl)butyramide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H22N4O2/c1-16-7-9-17(10-8-16)19-11-12-21(27)25(24-19)14-4-6-20(26)23-15-18-5-2-3-13-22-18/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,23,26)