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

Systemtic Name: tert-butyl 4-[3-[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CNC3=CN=C(C=C23)N4C=NC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CNC3=CN=C(C=C23)N4C=NC=N4

InChI

InChI=1S/C21H29N7O2/c1-21(2,3)30-20(29)27-9-7-26(8-10-27)6-4-5-16-12-23-18-13-24-19(11-17(16)18)28-15-22-14-25-28/h11-15,23H,4-10H2,1-3H3