N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C19H17N3O4/c1-11(12-7-8-15-16(9-12)26-10-25-15)20-18(23)17-13-5-3-4-6-14(13)19(24)22(2)21-17/h3-9,11H,10H2,1-2H3,(H,20,23)