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

Systemtic Name: 2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-22-19(26)17-5-3-2-4-16(17)18(21-22)20(27)24-12-10-23(11-13-24)14-6-8-15(9-7-14)25(28)29/h2-9H,10-13H2,1H3