N-(6-ethanoyl-1,3-benzodioxol-5-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxopyridazine-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-keto-pyridazine-3-carboxamide Formula: C21H17N3O5 MolecularWeight: 391.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H17N3O5/c1-13(25)15-9-18-19(29-12-28-18)10-17(15)22-21(27)16-7-8-20(26)24(23-16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,27)