methyl (2R)-4-(propan-2-ylcarbamoyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(propan-2-ylcarbamoyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-4-(isopropylcarbamoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: (2R)-4-[oxo-(propan-2-ylamino)methyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(propan-2-ylcarbamoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: (2R)-4-(isopropylcarbamoyl)-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)OC)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)OC)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H22N4O4/c1-11(2)18-16(23)19-7-8-20(13(10-19)15(22)24-3)14(21)12-5-4-6-17-9-12/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,18,23)/t13-/m1/s1