tert-butyl 6-[[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 6-[[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: tert-butyl 6-[[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]benzoyl]amino]-1H-indole-2-carboxylate CAS Name: 6-[[oxo-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]phenyl]methyl]amino]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoyl]amino]-1H-indole-2-carboxylate Traditional Name: 6-[[2-[[1-(4-pyridyl)isonipecotoyl]amino]benzoyl]amino]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C31H33N5O4 MolecularWeight: 539.62482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(N1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(N1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C31H33N5O4/c1-31(2,3)40-30(39)27-18-21-8-9-22(19-26(21)34-27)33-29(38)24-6-4-5-7-25(24)35-28(37)20-12-16-36(17-13-20)23-10-14-32-15-11-23/h4-11,14-15,18-20,34H,12-13,16-17H2,1-3H3,(H,33,38)(H,35,37)