4-[2-(2-methoxyphenyl)ethyl]-1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile dihydrochloride

Systemtic Name: 4-[2-(2-methoxyphenyl)ethyl]-1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile dihydrochloride Openeye Name: 4-[2-(2-methoxyphenyl)ethyl]-1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile dihydrochloride CAS Name: 4-[2-(2-methoxyphenyl)ethyl]-1-[(2-oxo-1H-pyridin-3-yl)methyl]-2-piperidinecarbonitrile dihydrochloride IUPAC Name: 4-[2-(2-methoxyphenyl)ethyl]-1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidine-2-carbonitrile dihydrochloride Traditional Name: 1-[(2-keto-1H-pyridin-3-yl)methyl]-4-[2-(2-methoxyphenyl)ethyl]pipecolinonitrile dihydrochloride Formula: C21H27Cl2N3O2 MolecularWeight: 424.36398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC2CCN(C(C2)C#N)CC3=CC=CNC3=O.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1CCC2CCN(C(C2)C#N)CC3=CC=CNC3=O.Cl.Cl

InChI

InChI=1S/C21H25N3O2.2ClH/c1-26-20-7-3-2-5-17(20)9-8-16-10-12-24(19(13-16)14-22)15-18-6-4-11-23-21(18)25;;/h2-7,11,16,19H,8-10,12-13,15H2,1H3,(H,23,25);2*1H