3-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]isochromen-1-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]isochromen-1-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]isochromen-1-one CAS Name: 3-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-2-benzopyran-1-one IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]isochromen-1-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]isocoumarin Formula: C25H19NO3 MolecularWeight: 381.42326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3C4=CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3C4=CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C25H19NO3/c27-24(26-14-13-17-7-1-2-9-19(17)16-26)22-12-6-5-11-21(22)23-15-18-8-3-4-10-20(18)25(28)29-23/h1-12,15H,13-14,16H2