2-(3,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-(3,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C28H26FN3O2 MolecularWeight: 455.523343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C

InChI

InChI=1S/C28H26FN3O2/c1-19-11-12-21(17-20(19)2)32-18-24(22-7-3-4-8-23(22)28(32)34)27(33)31-15-13-30(14-16-31)26-10-6-5-9-25(26)29/h3-12,17-18H,13-16H2,1-2H3