tert-butyl 4-[[1-(phenylmethyl)piperidin-4-yl]carbonylamino]pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(phenylmethyl)piperidin-4-yl]carbonylamino]pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 4-[(1-benzylpiperidine-4-carbonyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 4-[[oxo-[1-(phenylmethyl)-4-piperidinyl]methyl]amino]-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-benzylpiperidine-4-carbonyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 4-[(1-benzylisonipecotoyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)NC(=O)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)NC(=O)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-25(2,3)32-24(31)29-16-12-20-21(9-13-26-22(20)29)27-23(30)19-10-14-28(15-11-19)17-18-7-5-4-6-8-18/h4-9,12-13,16,19H,10-11,14-15,17H2,1-3H3,(H,26,27,30)