tert-butyl 6-[[4-nitro-2-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[[4-nitro-2-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-nitro-2-[piperidine-4-carbonyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-nitro-2-[[oxo(4-piperidinyl)methyl]-pyridin-4-ylamino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-nitro-2-[piperidine-4-carbonyl(pyridin-4-yl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[2-[isonipecotoyl(4-pyridyl)amino]-4-nitro-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=C(C=C3)[N+](=O)[O-])N(C4=CC=NC=C4)C(=O)C5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N(C4=CC=NC=C4)C(=O)C5CCNCC5

InChI

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