4-chloranyl-2-[4-[ethyl(2-hydroxyethyl)amino]-1-phenyl-butoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-chloranyl-2-[4-[ethyl(2-hydroxyethyl)amino]-1-phenyl-butoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]-1-phenyl-butoxy]benzonitrile hydrochloride CAS Name: 4-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]-1-phenylbutoxy]benzonitrile hydrochloride IUPAC Name: 4-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]-1-phenylbutoxy]benzonitrile hydrochloride Traditional Name: 4-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]-1-phenyl-butoxy]benzonitrile hydrochloride Formula: C21H26Cl2N2O2 MolecularWeight: 409.34934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)C#N)CCO.Cl

Isomeric SMILES

CCN(CCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)C#N)CCO.Cl

InChI

InChI=1S/C21H25ClN2O2.ClH/c1-2-24(13-14-25)12-6-9-20(17-7-4-3-5-8-17)26-21-15-19(22)11-10-18(21)16-23;/h3-5,7-8,10-11,15,20,25H,2,6,9,12-14H2,1H3;1H