tert-butyl 6-[[5-azanyl-2-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[[5-azanyl-2-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[5-amino-2-[piperidine-4-carbonyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[5-amino-2-[[oxo(4-piperidinyl)methyl]-pyridin-4-ylamino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[5-amino-2-[piperidine-4-carbonyl(pyridin-4-yl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[5-amino-2-[isonipecotoyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C31H34N6O4 MolecularWeight: 554.63946

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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)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=CC(=C3)N)N(C4=CC=NC=C4)C(=O)C5CCNCC5

InChI

InChI=1S/C31H34N6O4/c1-31(2,3)41-30(40)36-17-12-20-4-6-23(19-27(20)36)35-28(38)25-18-22(32)5-7-26(25)37(24-10-15-34-16-11-24)29(39)21-8-13-33-14-9-21/h4-7,10-12,15-19,21,33H,8-9,13-14,32H2,1-3H3,(H,35,38)