2-chloranyl-6-[3-[(2-methyl-5-phenyl-pent-3-yn-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-chloranyl-6-[3-[(2-methyl-5-phenyl-pent-3-yn-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-chloro-6-[3-[(1,1-dimethyl-4-phenyl-but-2-ynyl)amino]-2-hydroxy-propoxy]benzonitrile hydrochloride CAS Name: 2-chloro-6-[2-hydroxy-3-[(2-methyl-5-phenylpent-3-yn-2-yl)amino]propoxy]benzonitrile hydrochloride IUPAC Name: 2-chloro-6-[2-hydroxy-3-[(2-methyl-5-phenylpent-3-yn-2-yl)amino]propoxy]benzonitrile hydrochloride Traditional Name: 2-chloro-6-[3-[(1,1-dimethyl-4-phenyl-but-2-ynyl)amino]-2-hydroxy-propoxy]benzonitrile hydrochloride Formula: C22H24Cl2N2O2 MolecularWeight: 419.34416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CCC1=CC=CC=C1)NCC(COC2=C(C(=CC=C2)Cl)C#N)O.Cl

Isomeric SMILES

CC(C)(C#CCC1=CC=CC=C1)NCC(COC2=C(C(=CC=C2)Cl)C#N)O.Cl

InChI

InChI=1S/C22H23ClN2O2.ClH/c1-22(2,13-7-10-17-8-4-3-5-9-17)25-15-18(26)16-27-21-12-6-11-20(23)19(21)14-24;/h3-6,8-9,11-12,18,25-26H,10,15-16H2,1-2H3;1H