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

Systemtic Name: tert-butyl 4-[4-[1-(4-methylpentyl)-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-isohexyl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-(4-methylpentyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[1-(4-methylpentyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1-isohexyl-5-keto-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N5O3/c1-18(2)7-6-12-28-21(29)27(17-24-28)20-10-8-19(9-11-20)25-13-15-26(16-14-25)22(30)31-23(3,4)5/h8-11,17-18H,6-7,12-16H2,1-5H3