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

Systemtic Name: pyridin-2-yl 4-[(4-chlorophenyl)-oxidanyl-methyl]-3-oxidanylidene-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Openeye Name: 2-pyridyl 4-[(4-chlorophenyl)-hydroxy-methyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)-hydroxymethyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)-1-piperazinecarboxylic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 4-[(4-chlorophenyl)-hydroxymethyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Traditional Name: 4-[(4-chlorophenyl)-hydroxy-methyl]-3-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(=O)N(CCN1C(=O)OC2=CC=CC=N2)C(C3=CC=C(C=C3)Cl)O)N4C=NN=C4

Isomeric SMILES

CCCC1(C(=O)N(CCN1C(=O)OC2=CC=CC=N2)C(C3=CC=C(C=C3)Cl)O)N4C=NN=C4

InChI

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