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

Systemtic Name: 3-(3,3-diethyl-4H-isoquinolin-1-yl)chromen-2-one Openeye Name: 3-(3,3-diethyl-4H-isoquinolin-1-yl)chromen-2-one CAS Name: 3-(3,3-diethyl-4H-isoquinolin-1-yl)-1-benzopyran-2-one IUPAC Name: 3-(3,3-diethyl-4H-isoquinolin-1-yl)chromen-2-one Traditional Name: 3-(3,3-diethyl-4H-isoquinolin-1-yl)coumarin Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4OC3=O)CC

Isomeric SMILES

CCC1(CC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4OC3=O)CC

InChI

InChI=1S/C22H21NO2/c1-3-22(4-2)14-16-10-5-7-11-17(16)20(23-22)18-13-15-9-6-8-12-19(15)25-21(18)24/h5-13H,3-4,14H2,1-2H3