tert-butyl 2-[2-(7-acetamido-1,8-naphthyridin-2-yl)ethynyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(7-acetamido-1,8-naphthyridin-2-yl)ethynyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[2-(7-acetamido-1,8-naphthyridin-2-yl)ethynyl]pyrrole-1-carboxylate CAS Name: 2-[2-(7-acetamido-1,8-naphthyridin-2-yl)ethynyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(7-acetamido-1,8-naphthyridin-2-yl)ethynyl]pyrrole-1-carboxylate Traditional Name: 2-[2-(7-acetamido-1,8-naphthyridin-2-yl)ethynyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C=CC(=N2)C#CC3=CC=CN3C(=O)OC(C)(C)C)C=C1

Isomeric SMILES

CC(=O)NC1=NC2=C(C=CC(=N2)C#CC3=CC=CN3C(=O)OC(C)(C)C)C=C1

InChI

InChI=1S/C21H20N4O3/c1-14(26)22-18-12-8-15-7-9-16(23-19(15)24-18)10-11-17-6-5-13-25(17)20(27)28-21(2,3)4/h5-9,12-13H,1-4H3,(H,22,23,24,26)