N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide Traditional Name: 3-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-piperonyl-propionamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O4/c1-15-2-5-17(6-3-15)18-7-9-22(27)25(24-18)11-10-21(26)23-13-16-4-8-19-20(12-16)29-14-28-19/h2-9,12H,10-11,13-14H2,1H3,(H,23,26)