4-(2,5-dimethylphenyl)-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]phthalazin-1-one Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H26N4O4/c1-18-9-10-19(2)22(16-18)25-20-6-3-4-7-21(20)26(33)31(28-25)17-24(32)29-11-13-30(14-12-29)27(34)23-8-5-15-35-23/h3-10,15-16H,11-14,17H2,1-2H3