tert-butyl 4-[[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1-cyclopropyl-5-tetrazolyl)anilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

InChI

InChI=1S/C20H27N7O3/c1-20(2,3)30-19(29)26-11-9-25(10-12-26)18(28)21-15-6-4-5-14(13-15)17-22-23-24-27(17)16-7-8-16/h4-6,13,16H,7-12H2,1-3H3,(H,21,28)