(3S)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-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(=CC(=O)O2)CN3CC4=CC=CC=C4CC3C(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CC4=CC=CC=C4C[C@H]3C(=O)N)C

InChI

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