(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCC3=CC=CC=C3C2)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCC3=CC=CC=C3C2)Cl)OC

InChI

InChI=1S/C20H20ClNO3/c1-24-18-12-14(11-17(21)20(18)25-2)7-8-19(23)22-10-9-15-5-3-4-6-16(15)13-22/h3-8,11-12H,9-10,13H2,1-2H3/b8-7+