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

Systemtic Name: 2-(2-nitro-5-piperazin-1-yl-phenyl)-4-phenyl-phthalazin-1-one Openeye Name: 2-(2-nitro-5-piperazin-1-yl-phenyl)-4-phenyl-phthalazin-1-one CAS Name: 2-[2-nitro-5-(1-piperazinyl)phenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-(2-nitro-5-piperazin-1-ylphenyl)-4-phenylphthalazin-1-one Traditional Name: 2-(2-nitro-5-piperazino-phenyl)-4-phenyl-phthalazin-1-one Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5O3/c30-24-20-9-5-4-8-19(20)23(17-6-2-1-3-7-17)26-28(24)22-16-18(10-11-21(22)29(31)32)27-14-12-25-13-15-27/h1-11,16,25H,12-15H2