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

Systemtic Name: tert-butyl 6-[[4-azanyl-2-[piperidin-4-yl(pyridin-4-ylmethoxycarbonyl)amino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-amino-2-[4-piperidyl(4-pyridylmethoxycarbonyl)amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-amino-2-[[oxo(pyridin-4-ylmethoxy)methyl]-(4-piperidinyl)amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-amino-2-[piperidin-4-yl(pyridin-4-ylmethoxycarbonyl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-amino-2-[4-piperidyl(4-pyridylmethoxycarbonyl)amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C32H36N6O5 MolecularWeight: 584.66544

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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)N(C4CCNCC4)C(=O)OCC5=CC=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)N)N(C4CCNCC4)C(=O)OCC5=CC=NC=C5

InChI

InChI=1S/C32H36N6O5/c1-32(2,3)43-30(40)37-17-12-22-4-6-24(19-27(22)37)36-29(39)26-7-5-23(33)18-28(26)38(25-10-15-35-16-11-25)31(41)42-20-21-8-13-34-14-9-21/h4-9,12-14,17-19,25,35H,10-11,15-16,20,33H2,1-3H3,(H,36,39)