2-chloranyl-6-[3-[(1-isoquinolin-3-yl-2-methyl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-chloranyl-6-[3-[(1-isoquinolin-3-yl-2-methyl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-chloro-6-[2-hydroxy-3-[[2-(3-isoquinolyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile hydrochloride CAS Name: 2-chloro-6-[2-hydroxy-3-[[1-(3-isoquinolinyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile hydrochloride IUPAC Name: 2-chloro-6-[2-hydroxy-3-[(1-isoquinolin-3-yl-2-methylpropan-2-yl)amino]propoxy]benzonitrile hydrochloride Traditional Name: 2-chloro-6-[2-hydroxy-3-[[2-(3-isoquinolyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile hydrochloride Formula: C23H25Cl2N3O2 MolecularWeight: 446.3695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=N1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.Cl

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=N1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.Cl

InChI

InChI=1S/C23H24ClN3O2.ClH/c1-23(2,11-18-10-16-6-3-4-7-17(16)13-26-18)27-14-19(28)15-29-22-9-5-8-21(24)20(22)12-25;/h3-10,13,19,27-28H,11,14-15H2,1-2H3;1H