tert-butyl 1-[2-(4-cyanophenyl)imidazo[1,2-a]pyridin-7-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[2-(4-cyanophenyl)imidazo[1,2-a]pyridin-7-yl]carbonylpiperidine-4-carboxylate Openeye Name: tert-butyl 1-[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-cyanophenyl)-7-imidazo[1,2-a]pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carbonyl]isonipecotic acid tert-butyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2=CC3=NC(=CN3C=C2)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2=CC3=NC(=CN3C=C2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O3/c1-25(2,3)32-24(31)19-8-11-28(12-9-19)23(30)20-10-13-29-16-21(27-22(29)14-20)18-6-4-17(15-26)5-7-18/h4-7,10,13-14,16,19H,8-9,11-12H2,1-3H3