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

Systemtic Name: tert-butyl 6-[[4-acetamido-2-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-acetamido-2-[piperidine-4-carbonyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-acetamido-2-[[oxo(4-piperidinyl)methyl]-pyridin-4-ylamino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-acetamido-2-[piperidine-4-carbonyl(pyridin-4-yl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-acetamido-2-[isonipecotoyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C33H36N6O5 MolecularWeight: 596.67614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=CN3C(=O)OC(C)(C)C)N(C4=CC=NC=C4)C(=O)C5CCNCC5

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=CN3C(=O)OC(C)(C)C)N(C4=CC=NC=C4)C(=O)C5CCNCC5

InChI

InChI=1S/C33H36N6O5/c1-21(40)36-24-7-8-27(29(20-24)39(26-11-16-35-17-12-26)31(42)23-9-14-34-15-10-23)30(41)37-25-6-5-22-13-18-38(28(22)19-25)32(43)44-33(2,3)4/h5-8,11-13,16-20,23,34H,9-10,14-15H2,1-4H3,(H,36,40)(H,37,41)