4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6,7-dimethyl-coumarin Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H21NO3/c1-14-9-19-18(12-22(25)26-20(19)10-15(14)2)11-21(24)23-8-7-16-5-3-4-6-17(16)13-23/h3-6,9-10,12H,7-8,11,13H2,1-2H3