2-[5-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(3-chlorobenzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C26H22ClN5O4 MolecularWeight: 503.93698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClN5O4/c1-17-21-7-2-3-8-22(21)26(34)31(28-17)24-16-20(9-10-23(24)32(35)36)29-11-13-30(14-12-29)25(33)18-5-4-6-19(27)15-18/h2-10,15-16H,11-14H2,1H3