ethyl 4-[4-cyano-5-methyl-4-(2-methylphenyl)hexyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[4-cyano-5-methyl-4-(2-methylphenyl)hexyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[4-cyano-5-methyl-4-(o-tolyl)hexyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[4-cyano-5-methyl-4-(2-methylphenyl)hexyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[4-cyano-5-methyl-4-(2-methylphenyl)hexyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[4-cyano-5-methyl-4-(o-tolyl)hexyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C22H34ClN3O2 MolecularWeight: 407.97726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCC(C#N)(C2=CC=CC=C2C)C(C)C.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCC(C#N)(C2=CC=CC=C2C)C(C)C.Cl

InChI

InChI=1S/C22H33N3O2.ClH/c1-5-27-21(26)25-15-13-24(14-16-25)12-8-11-22(17-23,18(2)3)20-10-7-6-9-19(20)4;/h6-7,9-10,18H,5,8,11-16H2,1-4H3;1H