3,4-dimethyl-1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]pyrrole-2,5-dione

Systemtic Name: 3,4-dimethyl-1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]pyrrole-2,5-dione Openeye Name: 3,4-dimethyl-1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrole-2,5-dione CAS Name: 3,4-dimethyl-1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrole-2,5-dione IUPAC Name: 3,4-dimethyl-1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrole-2,5-dione Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)methyl]phenyl]-3,4-dimethyl-3-pyrroline-2,5-quinone Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H17N3O3/c1-12-13(2)21(27)24(20(12)26)15-7-5-6-14(10-15)11-18-16-8-3-4-9-17(16)19(25)23-22-18/h3-10H,11H2,1-2H3,(H,23,25)