pyridin-2-yl 2-[1-(4-hydroxyphenyl)-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate

Systemtic Name: pyridin-2-yl 2-[1-(4-hydroxyphenyl)-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Openeye Name: 2-pyridyl 2-[1-(4-hydroxybenzoyl)propyl]-3-oxo-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate CAS Name: 2-[1-(4-hydroxyphenyl)-1-oxobutan-2-yl]-3-oxo-2-(1,2,4-triazol-4-yl)-1-piperazinecarboxylic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 2-[1-(4-hydroxyphenyl)-1-oxobutan-2-yl]-3-oxo-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Traditional Name: 2-[1-(4-hydroxybenzoyl)propyl]-3-keto-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylic acid 2-pyridyl ester Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)O)C2(C(=O)NCCN2C(=O)OC3=CC=CC=N3)N4C=NN=C4

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)O)C2(C(=O)NCCN2C(=O)OC3=CC=CC=N3)N4C=NN=C4

InChI

InChI=1S/C22H22N6O5/c1-2-17(19(30)15-6-8-16(29)9-7-15)22(27-13-25-26-14-27)20(31)24-11-12-28(22)21(32)33-18-5-3-4-10-23-18/h3-10,13-14,17,29H,2,11-12H2,1H3,(H,24,31)