tert-butyl 1-[4-(6-carbamimidoylimidazo[1,2-a]pyridin-2-yl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[4-(6-carbamimidoylimidazo[1,2-a]pyridin-2-yl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: tert-butyl 1-[4-(6-carbamimidoylimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(6-carbamimidoyl-2-imidazo[1,2-a]pyridinyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-(6-carbamimidoylimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(6-amidinoimidazo[1,2-a]pyridin-2-yl)benzoyl]isonipecotic acid tert-butyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C(=N)N

InChI

InChI=1S/C25H29N5O3/c1-25(2,3)33-24(32)18-10-12-29(13-11-18)23(31)17-6-4-16(5-7-17)20-15-30-14-19(22(26)27)8-9-21(30)28-20/h4-9,14-15,18H,10-13H2,1-3H3,(H3,26,27)