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

Systemtic Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)-4-phenyl-phthalazin-1-one Openeye Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)-4-phenyl-phthalazin-1-one CAS Name: 2-[2-nitro-5-(1-pyrrolidinyl)phenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-(2-nitro-5-pyrrolidin-1-ylphenyl)-4-phenylphthalazin-1-one Traditional Name: 2-(2-nitro-5-pyrrolidino-phenyl)-4-phenyl-phthalazin-1-one Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3/c29-24-20-11-5-4-10-19(20)23(17-8-2-1-3-9-17)25-27(24)22-16-18(26-14-6-7-15-26)12-13-21(22)28(30)31/h1-5,8-13,16H,6-7,14-15H2