3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)-6-oxidanyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)-6-oxidanyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-(3-fluorophenyl)-6-hydroxy-2-isobutyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-(3-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-(3-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-(3-fluorophenyl)-6-hydroxy-2-isobutyl-isocarbostyril Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)O)C3=CC(=CC=C3)F)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)O)C3=CC(=CC=C3)F)CN

InChI

InChI=1S/C20H21FN2O2/c1-12(2)11-23-18(10-22)19(13-4-3-5-14(21)8-13)17-9-15(24)6-7-16(17)20(23)25/h3-9,12,24H,10-11,22H2,1-2H3