3-[3-[(E)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop-1-enyl]indol-1-yl]propionitrile Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N)OC

InChI

InChI=1S/C25H25N3O3/c1-30-23-14-18-10-13-28(17-20(18)15-24(23)31-2)25(29)9-8-19-16-27(12-5-11-26)22-7-4-3-6-21(19)22/h3-4,6-9,14-16H,5,10,12-13,17H2,1-2H3/b9-8+