2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C26H21ClFN3O2 MolecularWeight: 461.915243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClFN3O2/c27-18-9-11-19(12-10-18)31-17-22(20-5-1-2-6-21(20)26(31)33)25(32)30-15-13-29(14-16-30)24-8-4-3-7-23(24)28/h1-12,17H,13-16H2