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

Systemtic Name: 2-[5-[4-(3-chloranyl-4-methyl-phenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3-chloro-4-methyl-benzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(3-chloro-4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3-chloro-4-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(3-chloro-4-methyl-benzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C27H24ClN5O4 MolecularWeight: 517.96356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C)Cl

InChI

InChI=1S/C27H24ClN5O4/c1-17-7-8-19(15-23(17)28)26(34)31-13-11-30(12-14-31)20-9-10-24(33(36)37)25(16-20)32-27(35)22-6-4-3-5-21(22)18(2)29-32/h3-10,15-16H,11-14H2,1-2H3