tert-butyl 4-[4-[5-oxidanylidene-1-(2-oxidanylpropyl)-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[5-oxidanylidene-1-(2-oxidanylpropyl)-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[1-(2-hydroxypropyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-(2-hydroxypropyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[1-(2-hydroxypropyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[1-(2-hydroxypropyl)-5-keto-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(CN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H29N5O4/c1-15(26)13-25-18(27)24(14-21-25)17-7-5-16(6-8-17)22-9-11-23(12-10-22)19(28)29-20(2,3)4/h5-8,14-15,26H,9-13H2,1-4H3