tert-butyl 4-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=CC(=C2)C3=CC=NN3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=CC(=C2)C3=CC=NN3

InChI

InChI=1S/C20H28N4O2/c1-20(2,3)26-19(25)24-13-11-23(12-14-24)10-8-16-5-4-6-17(15-16)18-7-9-21-22-18/h4-7,9,15H,8,10-14H2,1-3H3,(H,21,22)