tert-butyl 6-[[5-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[[5-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[5-nitro-2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[5-nitro-2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[5-nitro-2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[5-nitro-2-[[1-(4-pyridyl)isonipecotoyl]amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C31H32N6O6 MolecularWeight: 584.62238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C31H32N6O6/c1-31(2,3)43-30(40)36-17-12-20-4-5-22(18-27(20)36)33-29(39)25-19-24(37(41)42)6-7-26(25)34-28(38)21-10-15-35(16-11-21)23-8-13-32-14-9-23/h4-9,12-14,17-19,21H,10-11,15-16H2,1-3H3,(H,33,39)(H,34,38)