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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCC5)[N+](=O)[O-]

InChI

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