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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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