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

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H23N5O4 MolecularWeight: 469.49192

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5O4/c32-25-23-9-5-4-8-22(23)24(27-30(25)18-19-6-2-1-3-7-19)26(33)29-16-14-28(15-17-29)20-10-12-21(13-11-20)31(34)35/h1-13H,14-18H2