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

Systemtic Name: 2-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-isoquinolin-1-one CAS Name: 2-ethyl-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxyisoquinolin-1-one Traditional Name: 2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-isocarbostyril Formula: C24H26FN3O4 MolecularWeight: 439.479343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O4/c1-4-26-15-20(18-13-21(31-2)22(32-3)14-19(18)23(26)29)24(30)28-11-9-27(10-12-28)17-7-5-16(25)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3