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

Systemtic Name: 2-[1-[(4-cyanophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate hydrochloride Openeye Name: 2-[1-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate hydrochloride CAS Name: 2-[1-[[(4-cyanophenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate hydrochloride IUPAC Name: 2-[1-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate hydrochloride Traditional Name: 2-[1-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate hydrochloride Formula: C19H17ClN3O3- MolecularWeight: 370.80958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C#N)CC(=O)[O-].Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C#N)CC(=O)[O-].Cl

InChI

InChI=1S/C19H17N3O3.ClH/c20-11-13-5-7-15(8-6-13)19(25)21-18-16-4-2-1-3-14(16)9-10-22(18)12-17(23)24;/h1-8,18H,9-10,12H2,(H,21,25)(H,23,24);1H/p-1