4-azanyl-2-[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 4-amino-2-(3-isopentyl-4-oxo-phthalazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 4-amino-2-[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 4-amino-2-(3-isoamyl-4-keto-phthalazine-1-carbonyl)isoindoline-1,3-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N

InChI

InChI=1S/C22H20N4O4/c1-12(2)10-11-25-19(27)14-7-4-3-6-13(14)18(24-25)22(30)26-20(28)15-8-5-9-16(23)17(15)21(26)29/h3-9,12H,10-11,23H2,1-2H3