(Z)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-3-phenylazanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-3-phenylazanyl-prop-2-enenitrile Openeye Name: (Z)-3-anilino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]prop-2-enenitrile CAS Name: (Z)-3-anilino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]-2-propenenitrile IUPAC Name: (Z)-3-anilino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]prop-2-enenitrile Traditional Name: (Z)-3-anilino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]acrylonitrile Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CN3CCC4=CC=CC=C4C3)C(=C1)CC(=CNC5=CC=CC=C5)C#N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CN3CCC4=CC=CC=C4C3)C(=C1)C/C(=C/NC5=CC=CC=C5)/C#N)OC

InChI

InChI=1S/C30H29N3O3/c1-34-28-15-24(14-21(17-31)18-32-25-10-4-3-5-11-25)27-16-26(36-29(27)30(28)35-2)20-33-13-12-22-8-6-7-9-23(22)19-33/h3-11,15-16,18,32H,12-14,19-20H2,1-2H3/b21-18-