(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)acrylonitrile Formula: C20H17BrN2O2 MolecularWeight: 397.26518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C3C2)Br

InChI

InChI=1S/C20H17BrN2O2/c1-25-19-7-6-14(11-18(19)21)10-17(12-22)20(24)23-9-8-15-4-2-3-5-16(15)13-23/h2-7,10-11H,8-9,13H2,1H3/b17-10+