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

Systemtic Name: 4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-2-3-8-13-28-23(30)19-10-5-4-9-18(19)22(25-28)24(31)27-16-14-26(15-17-27)20-11-6-7-12-21(20)29(32)33/h4-7,9-12H,2-3,8,13-17H2,1H3