4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-nitro-5-(1-pyrrolidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one Traditional Name: 2-(2-nitro-5-pyrrolidino-phenyl)-4-(p-tolyl)phthalazin-1-one Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3/c1-17-8-10-18(11-9-17)24-20-6-2-3-7-21(20)25(30)28(26-24)23-16-19(27-14-4-5-15-27)12-13-22(23)29(31)32/h2-3,6-13,16H,4-5,14-15H2,1H3