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

Systemtic Name: phenyl 4-[(4-fluorophenyl)-oxidanyl-methyl]-3-oxidanylidene-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Openeye Name: phenyl 4-[(4-fluorophenyl)-hydroxy-methyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate CAS Name: 4-[(4-fluorophenyl)-hydroxymethyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[(4-fluorophenyl)-hydroxymethyl]-3-oxo-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylate Traditional Name: 4-[(4-fluorophenyl)-hydroxy-methyl]-3-keto-2-propyl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxylic acid phenyl ester Formula: C23H24FN5O4 MolecularWeight: 453.466163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(CCN1C(=O)OC2=CC=CC=C2)C(C3=CC=C(C=C3)F)O)N4C=NN=C4

Isomeric SMILES

CCCC1(C(=O)N(CCN1C(=O)OC2=CC=CC=C2)C(C3=CC=C(C=C3)F)O)N4C=NN=C4

InChI

InChI=1S/C23H24FN5O4/c1-2-12-23(27-15-25-26-16-27)21(31)28(20(30)17-8-10-18(24)11-9-17)13-14-29(23)22(32)33-19-6-4-3-5-7-19/h3-11,15-16,20,30H,2,12-14H2,1H3