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

Systemtic Name: tert-butyl N-[2-phenylazanyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-anilino-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]carbamate CAS Name: N-[2-anilino-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-anilino-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamate Traditional Name: N-[2-anilino-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]carbamic acid tert-butyl ester Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2/c1-20(2,3)28-19(27)22-13-16(23-15-7-5-4-6-8-15)18-24-17(25-26-18)14-9-11-21-12-10-14/h4-12,16,23H,13H2,1-3H3,(H,22,27)(H,24,25,26)