tert-butyl N-[2-[3-(2-azanylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]-2-phenylazanyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-(2-azanylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]-2-phenylazanyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-(2-amino-4-pyridyl)-1H-1,2,4-triazol-5-yl]-2-anilino-ethyl]carbamate CAS Name: N-[2-[3-(2-amino-4-pyridinyl)-1H-1,2,4-triazol-5-yl]-2-anilinoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-(2-aminopyridin-4-yl)-1H-1,2,4-triazol-5-yl]-2-anilinoethyl]carbamate Traditional Name: N-[2-[3-(2-amino-4-pyridyl)-1H-1,2,4-triazol-5-yl]-2-anilino-ethyl]carbamic acid tert-butyl ester Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C1=NC(=NN1)C2=CC(=NC=C2)N)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C1=NC(=NN1)C2=CC(=NC=C2)N)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N7O2/c1-20(2,3)29-19(28)23-12-15(24-14-7-5-4-6-8-14)18-25-17(26-27-18)13-9-10-22-16(21)11-13/h4-11,15,24H,12H2,1-3H3,(H2,21,22)(H,23,28)(H,25,26,27)