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

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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