ethyl 2-[7-[(4-cyanophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[7-[(4-cyanophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[7-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[7-[[(4-cyanophenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[7-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-2-27-20(25)14-24-10-9-16-7-8-19(11-18(16)13-24)23-21(26)17-5-3-15(12-22)4-6-17/h3-8,11H,2,9-10,13-14H2,1H3,(H,23,26)