4-(2,5-dimethylphenyl)-2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]phthalazin-1-one Formula: C27H26N4O3S MolecularWeight: 486.58534

Click to see the large picture

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=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H26N4O3S/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