tert-butyl 4-[3-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H34N6O3/c1-26(2,3)35-25(34)31-17-15-30(16-18-31)14-6-13-27-24(33)21-11-9-20(10-12-21)19-32-23-8-5-4-7-22(23)28-29-32/h4-5,7-12H,6,13-19H2,1-3H3,(H,27,33)