4-(3,5-dimethylpiperidin-1-yl)carbonyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)carbonyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C26H31FN2O3 MolecularWeight: 438.534343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H31FN2O3/c1-17-14-18(2)16-28(15-17)26(31)23-21-6-4-5-7-22(21)25(30)29(12-13-32-3)24(23)19-8-10-20(27)11-9-19/h4-11,17-18,23-24H,12-16H2,1-3H3