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

Systemtic Name: (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[5-(4-bromophenyl)-2-furanyl]-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)acrylonitrile Formula: C23H17BrN2O2 MolecularWeight: 433.29728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Br)/C#N

InChI

InChI=1S/C23H17BrN2O2/c24-20-7-5-17(6-8-20)22-10-9-21(28-22)13-19(14-25)23(27)26-12-11-16-3-1-2-4-18(16)15-26/h1-10,13H,11-12,15H2/b19-13+