tert-butyl 4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4

InChI

InChI=1S/C22H30N6O2/c1-22(2,3)30-21(29)27-11-9-26(10-12-27)8-4-5-17-14-23-20-7-6-18(13-19(17)20)28-15-24-25-16-28/h6-7,13-16,23H,4-5,8-12H2,1-3H3