methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: (2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)OC)C(=O)C3=CN=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-23(2)17-8-6-15(7-9-17)19(26)24-11-12-25(18(14-24)21(28)29-3)20(27)16-5-4-10-22-13-16/h4-10,13,18H,11-12,14H2,1-3H3/t18-/m1/s1