(E,4Z)-4-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(1H-indol-3-ylcarbonyl)but-2-enenitrile

Systemtic Name: (E,4Z)-4-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(1H-indol-3-ylcarbonyl)but-2-enenitrile Openeye Name: (E,4Z)-4-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(1H-indole-3-carbonyl)but-2-enenitrile CAS Name: (E,4Z)-4-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[1H-indol-3-yl(oxo)methyl]-2-butenenitrile IUPAC Name: (E,4Z)-4-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(1H-indole-3-carbonyl)but-2-enenitrile Traditional Name: (E,4Z)-4-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(1H-indole-3-carbonyl)but-2-enenitrile Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=CC=C(C#N)C(=O)C3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C\2C(=C1)CCN/C2=C\C=C(/C#N)\C(=O)C3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C24H21N3O3/c1-29-22-11-15-9-10-26-21(18(15)12-23(22)30-2)8-7-16(13-25)24(28)19-14-27-20-6-4-3-5-17(19)20/h3-8,11-12,14,26-27H,9-10H2,1-2H3/b16-7+,21-8-