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

Systemtic Name: tert-butyl N-[3-phenylazanyl-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-anilino-3-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]propyl]carbamate CAS Name: N-[3-anilino-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-anilino-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propyl]carbamate Traditional Name: N-[3-anilino-3-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]propyl]carbamic acid tert-butyl ester Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-21(2,3)29-20(28)23-14-11-17(24-16-7-5-4-6-8-16)19-25-18(26-27-19)15-9-12-22-13-10-15/h4-10,12-13,17,24H,11,14H2,1-3H3,(H,23,28)(H,25,26,27)