3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(4-methylphenyl)isochromen-1-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(4-methylphenyl)isochromen-1-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(p-tolyl)isochromen-1-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-(4-methylphenyl)-2-benzopyran-1-one IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(4-methylphenyl)isochromen-1-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(p-tolyl)isocoumarin Formula: C26H21NO3 MolecularWeight: 395.44984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H21NO3/c1-17-10-12-19(13-11-17)23-21-8-4-5-9-22(21)26(29)30-24(23)25(28)27-15-14-18-6-2-3-7-20(18)16-27/h2-13H,14-16H2,1H3