3-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-one

Systemtic Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-one Openeye Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-one CAS Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-benzopyran-2-one IUPAC Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-one Traditional Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)coumarin Formula: C20H17NO2 MolecularWeight: 303.35448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4OC3=O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C20H17NO2/c1-20(2)12-14-8-3-5-9-15(14)18(21-20)16-11-13-7-4-6-10-17(13)23-19(16)22/h3-11H,12H2,1-2H3