tert-butyl 4-(3-but-2-ynyl-4-oxidanylidene-5H-imidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-but-2-ynyl-4-oxidanylidene-5H-imidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-but-2-ynyl-4-oxo-5H-imidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate CAS Name: 4-(3-but-2-ynyl-4-oxo-5H-imidazo[4,5-c]pyridin-2-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-but-2-ynyl-4-oxo-5H-imidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-but-2-ynyl-4-keto-5H-imidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=CNC2=O)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(C=CNC2=O)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N5O3/c1-5-6-9-24-15-14(7-8-20-16(15)25)21-17(24)22-10-12-23(13-11-22)18(26)27-19(2,3)4/h7-8H,9-13H2,1-4H3,(H,20,25)