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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isocarbostyril Formula: C26H30FN3O4 MolecularWeight: 467.532503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN3O4/c1-17(2)15-30-16-22(20-13-23(33-3)24(34-4)14-21(20)25(30)31)26(32)29-11-9-28(10-12-29)19-7-5-18(27)6-8-19/h5-8,13-14,16-17H,9-12,15H2,1-4H3