2-[5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-[4-(2-furoyl)piperazino]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C30H25N5O5 MolecularWeight: 535.55

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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=CO6)[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=CO6)[N+](=O)[O-]

InChI

InChI=1S/C30H25N5O5/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