N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-benzyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-benzyl-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-6-keto-N-[2-(piperonylcarbamoyl)phenyl]pyridazine-3-carboxamide Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5/c32-25-13-11-22(30-31(25)16-18-6-2-1-3-7-18)27(34)29-21-9-5-4-8-20(21)26(33)28-15-19-10-12-23-24(14-19)36-17-35-23/h1-14H,15-17H2,(H,28,33)(H,29,34)