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

Systemtic Name: tert-butyl 6-[[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[oxo-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]phenyl]methyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[2-[[1-(4-pyridyl)isonipecotoyl]amino]benzoyl]amino]indole-1-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)N1C=CC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=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)36-19-14-21-8-9-23(20-27(21)36)33-29(38)25-6-4-5-7-26(25)34-28(37)22-12-17-35(18-13-22)24-10-15-32-16-11-24/h4-11,14-16,19-20,22H,12-13,17-18H2,1-3H3,(H,33,38)(H,34,37)