1-[4-fluoranyl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexa-2,5-dien-1-yl]butan-1-one

Systemtic Name: 1-[4-fluoranyl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexa-2,5-dien-1-yl]butan-1-one Openeye Name: 1-[4-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexa-2,5-dien-1-yl]butan-1-one CAS Name: 1-[4-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-cyclohexa-2,5-dienyl]-1-butanone IUPAC Name: 1-[4-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexa-2,5-dien-1-yl]butan-1-one Traditional Name: 1-[4-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexa-2,5-dien-1-yl]butan-1-one Formula: C19H22FNO MolecularWeight: 299.382483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C=CC(C=C1)(C2C3=CC=CC=C3CCN2)F

Isomeric SMILES

CCCC(=O)C1C=CC(C=C1)(C2C3=CC=CC=C3CCN2)F

InChI

InChI=1S/C19H22FNO/c1-2-5-17(22)15-8-11-19(20,12-9-15)18-16-7-4-3-6-14(16)10-13-21-18/h3-4,6-9,11-12,15,18,21H,2,5,10,13H2,1H3