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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-2-13-29-22(28)18-4-6-19(7-5-18)25-21(27)17-9-11-26(12-10-17)20-8-3-16(14-23)15-24-20/h3-8,15,17H,2,9-13H2,1H3,(H,25,27)