(E)-3-[5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-[5-(4-bromo-3-methyl-phenyl)-2-furyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[5-(4-bromo-3-methylphenyl)-2-furanyl]-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-[5-(4-bromo-3-methylphenyl)furan-2-yl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[5-(4-bromo-3-methyl-phenyl)-2-furyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)acrylonitrile Formula: C24H19BrN2O2 MolecularWeight: 447.32386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=O)N3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N3CCC4=CC=CC=C4C3)Br

InChI

InChI=1S/C24H19BrN2O2/c1-16-12-18(6-8-22(16)25)23-9-7-21(29-23)13-20(14-26)24(28)27-11-10-17-4-2-3-5-19(17)15-27/h2-9,12-13H,10-11,15H2,1H3/b20-13+