pyridin-2-yl 3-[(4-chlorophenyl)-oxidanyl-methyl]-5-oxidanylidene-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate

Systemtic Name: pyridin-2-yl 3-[(4-chlorophenyl)-oxidanyl-methyl]-5-oxidanylidene-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Openeye Name: 2-pyridyl 3-[(4-chlorophenyl)-hydroxy-methyl]-5-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate CAS Name: 3-[(4-chlorophenyl)-hydroxymethyl]-5-oxo-2-propyl-2-(1,2,4-triazol-4-yl)-1-piperazinecarboxylic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 3-[(4-chlorophenyl)-hydroxymethyl]-5-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Traditional Name: 3-[(4-chlorophenyl)-hydroxy-methyl]-5-keto-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylic acid 2-pyridyl ester Formula: C22H23ClN6O4 MolecularWeight: 470.90882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(NC(=O)CN1C(=O)OC2=CC=CC=N2)C(C3=CC=C(C=C3)Cl)O)N4C=NN=C4

Isomeric SMILES

CCCC1(C(NC(=O)CN1C(=O)OC2=CC=CC=N2)C(C3=CC=C(C=C3)Cl)O)N4C=NN=C4

InChI

InChI=1S/C22H23ClN6O4/c1-2-10-22(28-13-25-26-14-28)20(19(31)15-6-8-16(23)9-7-15)27-17(30)12-29(22)21(32)33-18-5-3-4-11-24-18/h3-9,11,13-14,19-20,31H,2,10,12H2,1H3,(H,27,30)