4-(4-methylphenyl)-2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]phthalazin-1-one Openeye Name: 2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-nitro-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 2-[2-nitro-5-[4-(2-thenoyl)piperazino]phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C30H25N5O4S MolecularWeight: 551.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CS6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CS6)[N+](=O)[O-]

InChI

InChI=1S/C30H25N5O4S/c1-20-8-10-21(11-9-20)28-23-5-2-3-6-24(23)29(36)34(31-28)26-19-22(12-13-25(26)35(38)39)32-14-16-33(17-15-32)30(37)27-7-4-18-40-27/h2-13,18-19H,14-17H2,1H3