tert-butyl 4-[4-(3-oxidanylidene-2-propan-2-yl-1H-1,2,4-triazol-5-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-oxidanylidene-2-propan-2-yl-1H-1,2,4-triazol-5-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-isopropyl-3-oxo-1H-1,2,4-triazol-5-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-oxo-2-propan-2-yl-1H-1,2,4-triazol-5-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-oxo-2-propan-2-yl-1H-1,2,4-triazol-5-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-isopropyl-3-keto-1H-1,2,4-triazol-5-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/c1-14(2)25-18(26)21-17(22-25)15-6-8-16(9-7-15)23-10-12-24(13-11-23)19(27)28-20(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,21,22,26)