(E)-1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one

Systemtic Name: (E)-1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one Openeye Name: (E)-1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one CAS Name: (E)-1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-buten-1-one IUPAC Name: (E)-1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one Traditional Name: (E)-1-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one Formula: C19H18ClNO MolecularWeight: 311.80532

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)Cl

Isomeric SMILES

C/C=C/C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO/c1-2-5-18(22)21-13-12-14-6-3-4-7-17(14)19(21)15-8-10-16(20)11-9-15/h2-11,19H,12-13H2,1H3/b5-2+