4-(3,4-dimethylphenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-(3,4-dimethylphenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-(3,4-dimethylphenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one CAS Name: 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(1-pyrrolidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(3,4-dimethylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-(3,4-dimethylphenyl)-2-(2-nitro-5-pyrrolidino-phenyl)phthalazin-1-one Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C26H24N4O3/c1-17-9-10-19(15-18(17)2)25-21-7-3-4-8-22(21)26(31)29(27-25)24-16-20(28-13-5-6-14-28)11-12-23(24)30(32)33/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3