2,2-diphenylethyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: 2,2-diphenylethyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate hydrochloride Openeye Name: 2,2-diphenylethyl 4-[cyano(3-pyridyl)methyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[cyano(3-pyridinyl)methyl]-1-piperazinecarboxylic acid 2,2-diphenylethyl ester hydrochloride IUPAC Name: 2,2-diphenylethyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[cyano(3-pyridyl)methyl]piperazine-1-carboxylic acid 2,2-diphenylethyl ester hydrochloride Formula: C26H27ClN4O2 MolecularWeight: 462.97118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)OCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)OCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H26N4O2.ClH/c27-18-25(23-12-7-13-28-19-23)29-14-16-30(17-15-29)26(31)32-20-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22;/h1-13,19,24-25H,14-17,20H2;1H