ethyl 4-[1-cyano-1-(3,4-dimethoxyphenyl)propyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[1-cyano-1-(3,4-dimethoxyphenyl)propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[1-cyano-1-(3,4-dimethoxyphenyl)propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[1-cyano-1-(3,4-dimethoxyphenyl)propyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[1-cyano-1-(3,4-dimethoxyphenyl)propyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[1-cyano-1-(3,4-dimethoxyphenyl)propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C19H28ClN3O4 MolecularWeight: 397.89632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C(=O)OCC.Cl

Isomeric SMILES

CCC(C#N)(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C(=O)OCC.Cl

InChI

InChI=1S/C19H27N3O4.ClH/c1-5-19(14-20,15-7-8-16(24-3)17(13-15)25-4)22-11-9-21(10-12-22)18(23)26-6-2;/h7-8,13H,5-6,9-12H2,1-4H3;1H