ethyl 2-[7-(1H-imidazol-5-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[7-(1H-imidazol-5-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[7-(1H-imidazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[7-(1H-imidazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(1H-imidazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[7-(1H-imidazol-5-yl)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3=CN=CN3

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3=CN=CN3

InChI

InChI=1S/C16H17N3O3/c1-2-22-15(20)9-19-6-5-11-3-4-12(7-13(11)16(19)21)14-8-17-10-18-14/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,17,18)