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

Systemtic Name: tert-butyl 4-[4-(5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-isopropyl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1-isopropyl-5-keto-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N5O3/c1-15(2)25-18(26)24(14-21-25)17-8-6-16(7-9-17)22-10-12-23(13-11-22)19(27)28-20(3,4)5/h6-9,14-15H,10-13H2,1-5H3