1-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-quinolin-3-yl-urea hydrochloride

Systemtic Name: 1-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-quinolin-3-yl-urea hydrochloride Openeye Name: 1-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-quinolyl)urea hydrochloride CAS Name: 1-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-quinolinyl)urea hydrochloride IUPAC Name: 1-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-quinolin-3-ylurea hydrochloride Traditional Name: 1-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-quinolyl)urea hydrochloride Formula: C28H32ClN5O MolecularWeight: 490.03958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)NC4=CC5=CC=CC=C5N=C4.Cl

Isomeric SMILES

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)NC4=CC5=CC=CC=C5N=C4.Cl

InChI

InChI=1S/C28H31N5O.ClH/c29-17-21-5-8-24-19-33(14-12-22(24)15-21)13-11-20-6-9-25(10-7-20)31-28(34)32-26-16-23-3-1-2-4-27(23)30-18-26;/h1-5,8,15-16,18,20,25H,6-7,9-14,19H2,(H2,31,32,34);1H