methyl 2-[1-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[1-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[1-(5-cyano-2-pyridyl)isonipecotoyl]-4-piperidyl]acetic acid methyl ester hydrochloride Formula: C20H27ClN4O3 MolecularWeight: 406.90638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N.Cl

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N.Cl

InChI

InChI=1S/C20H26N4O3.ClH/c1-27-19(25)12-15-4-8-24(9-5-15)20(26)17-6-10-23(11-7-17)18-3-2-16(13-21)14-22-18;/h2-3,14-15,17H,4-12H2,1H3;1H