tert-butyl 2-[6-[2-(4-cyanophenyl)ethynyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[2-(4-cyanophenyl)ethynyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[2-(4-cyanophenyl)ethynyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[2-(4-cyanophenyl)ethynyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[2-(4-cyanophenyl)ethynyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-[2-(4-cyanophenyl)ethynyl]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C#CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C#CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H22N2O3/c1-24(2,3)29-22(27)16-26-13-12-20-14-18(10-11-21(20)23(26)28)7-4-17-5-8-19(15-25)9-6-17/h5-6,8-11,14H,12-13,16H2,1-3H3