ethyl 3-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-2-28-21(27)17-4-3-5-18(12-17)24-20(26)16-8-10-25(11-9-16)19-7-6-15(13-22)14-23-19/h3-7,12,14,16H,2,8-11H2,1H3,(H,24,26)