(3S)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(6,7-dimethylbenzofuran-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(6,7-dimethylbenzofuran-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC4=CC=CC=C4CC3C(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N)C

InChI

InChI=1S/C22H22N2O3/c1-13-7-8-18-17(12-27-21(18)14(13)2)10-20(25)24-11-16-6-4-3-5-15(16)9-19(24)22(23)26/h3-8,12,19H,9-11H2,1-2H3,(H2,23,26)/t19-/m0/s1