4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-isoquinolin-1-one

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-isocarbostyril Formula: C23H24FN3O4 MolecularWeight: 425.452763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3O4/c1-25-14-17(15-12-20(30-2)21(31-3)13-16(15)22(25)28)23(29)27-10-8-26(9-11-27)19-7-5-4-6-18(19)24/h4-7,12-14H,8-11H2,1-3H3