6,7-dimethoxy-3,3-dimethyl-2-[(E)-3-phenylprop-2-enoyl]-1H-isoquinolin-4-one

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-2-[(E)-3-phenylprop-2-enoyl]-1H-isoquinolin-4-one Openeye Name: 6,7-dimethoxy-3,3-dimethyl-2-[(E)-3-phenylprop-2-enoyl]-1H-isoquinolin-4-one CAS Name: 6,7-dimethoxy-3,3-dimethyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1H-isoquinolin-4-one IUPAC Name: 6,7-dimethoxy-3,3-dimethyl-2-[(E)-3-phenylprop-2-enoyl]-1H-isoquinolin-4-one Traditional Name: 6,7-dimethoxy-3,3-dimethyl-2-[(E)-3-phenylacryloyl]-1H-isoquinolin-4-one Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CC(=C(C=C2CN1C(=O)C=CC3=CC=CC=C3)OC)OC)C

Isomeric SMILES

CC1(C(=O)C2=CC(=C(C=C2CN1C(=O)/C=C/C3=CC=CC=C3)OC)OC)C

InChI

InChI=1S/C22H23NO4/c1-22(2)21(25)17-13-19(27-4)18(26-3)12-16(17)14-23(22)20(24)11-10-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3/b11-10+