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

Systemtic Name: 2-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-methyl-4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-2-methyl-phthalazin-1-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-23-21(28)18-5-3-2-4-17(18)19(22-23)14-20(27)25-12-10-24(11-13-25)15-6-8-16(9-7-15)26(29)30/h2-9H,10-14H2,1H3