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

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

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=CN3C(=O)OC(C)(C)C)NC(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

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