4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-2H-phthalazin-1-one Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H19N5O4/c26-19(13-18-16-3-1-2-4-17(16)20(27)22-21-18)24-11-9-23(10-12-24)14-5-7-15(8-6-14)25(28)29/h1-8H,9-13H2,(H,22,27)