tert-butyl 4-[4-(5-oxidanylidene-1-pentan-3-yl-1,2,4-triazolidin-4-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-oxidanylidene-1-pentan-3-yl-1,2,4-triazolidin-4-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[1-(1-ethylpropyl)-5-oxo-1,2,4-triazolidin-4-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-oxo-1-pentan-3-yl-1,2,4-triazolidin-4-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-oxo-1-pentan-3-yl-1,2,4-triazolidin-4-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[1-(1-ethylpropyl)-5-keto-1,2,4-triazolidin-4-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)N(CN1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)N1C(=O)N(CN1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N5O3/c1-6-17(7-2)27-20(28)26(16-23-27)19-10-8-18(9-11-19)24-12-14-25(15-13-24)21(29)30-22(3,4)5/h8-11,17,23H,6-7,12-16H2,1-5H3