5-[(2,2-dimethyloxan-4-yl)-(phenylmethyl)amino]-2-phenyl-pentanenitrile hydrochloride

Systemtic Name: 5-[(2,2-dimethyloxan-4-yl)-(phenylmethyl)amino]-2-phenyl-pentanenitrile hydrochloride Openeye Name: 5-[benzyl-(2,2-dimethyltetrahydropyran-4-yl)amino]-2-phenyl-pentanenitrile hydrochloride CAS Name: 5-[(2,2-dimethyl-4-oxanyl)-(phenylmethyl)amino]-2-phenylpentanenitrile hydrochloride IUPAC Name: 5-[benzyl-(2,2-dimethyloxan-4-yl)amino]-2-phenylpentanenitrile hydrochloride Traditional Name: 5-[benzyl-(2,2-dimethyltetrahydropyran-4-yl)amino]-2-phenyl-valeronitrile hydrochloride Formula: C25H33ClN2O MolecularWeight: 412.99532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N(CCCC(C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1(CC(CCO1)N(CCCC(C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C.Cl

InChI

InChI=1S/C25H32N2O.ClH/c1-25(2)18-24(15-17-28-25)27(20-21-10-5-3-6-11-21)16-9-14-23(19-26)22-12-7-4-8-13-22;/h3-8,10-13,23-24H,9,14-18,20H2,1-2H3;1H