tert-butyl 2-[6-[(4-cyanophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[(4-cyanophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[6-[[(4-cyanophenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[6-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-23(2,3)29-21(27)15-26-11-10-18-12-20(9-8-19(18)14-26)25-22(28)17-6-4-16(13-24)5-7-17/h4-9,12H,10-11,14-15H2,1-3H3,(H,25,28)