methyl 4-[2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]ethyl]benzoic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O3/c1-29-22(28)19-5-2-16(3-6-19)8-11-24-21(27)18-9-12-26(13-10-18)20-7-4-17(14-23)15-25-20/h2-7,15,18H,8-13H2,1H3,(H,24,27)