4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4/c31-24-22-9-5-4-8-21(22)23(26-29(24)19-6-2-1-3-7-19)25(32)28-16-14-27(15-17-28)18-10-12-20(13-11-18)30(33)34/h1-13H,14-17H2