3-(2-ethylphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one

Systemtic Name: 3-(2-ethylphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one Openeye Name: 3-(2-ethylphenyl)-7-morpholino-2H-isoquinolin-1-one CAS Name: 3-(2-ethylphenyl)-7-(4-morpholinyl)-2H-isoquinolin-1-one IUPAC Name: 3-(2-ethylphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one Traditional Name: 3-(2-ethylphenyl)-7-morpholino-isocarbostyril Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2

Isomeric SMILES

CCC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2

InChI

InChI=1S/C21H22N2O2/c1-2-15-5-3-4-6-18(15)20-13-16-7-8-17(14-19(16)21(24)22-20)23-9-11-25-12-10-23/h3-8,13-14H,2,9-12H2,1H3,(H,22,24)