N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(piperonylcarbamoyl)phenyl]phthalazine-1-carboxamide Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N4O5/c1-29-25(32)17-7-3-2-6-16(17)22(28-29)24(31)27-19-9-5-4-8-18(19)23(30)26-13-15-10-11-20-21(12-15)34-14-33-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)