tert-butyl N-[3-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[3-[2-(2-pyridinyl)ethynyl]anilino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C25H23N3O3/c1-25(2,3)31-24(30)28-22-12-7-9-19(17-22)23(29)27-21-11-6-8-18(16-21)13-14-20-10-4-5-15-26-20/h4-12,15-17H,1-3H3,(H,27,29)(H,28,30)