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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2N=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.Cl

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2N=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.Cl

InChI

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