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

Systemtic Name: tert-butyl 4-[(1-phenethylpiperidin-4-yl)carbonylamino]pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 4-[(1-phenethylpiperidine-4-carbonyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 4-[[oxo-(1-phenethyl-4-piperidinyl)methyl]amino]-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-phenethylpiperidine-4-carbonyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 4-[(1-phenethylisonipecotoyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)NC(=O)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-26(2,3)33-25(32)30-18-13-21-22(9-14-27-23(21)30)28-24(31)20-11-16-29(17-12-20)15-10-19-7-5-4-6-8-19/h4-9,13-14,18,20H,10-12,15-17H2,1-3H3,(H,27,28,31)