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

Systemtic Name: tert-butyl 6-[[2-[piperidin-4-ylcarbonyl(pyridin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[2-[piperidine-4-carbonyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[oxo-[2-[[oxo(4-piperidinyl)methyl]-pyridin-4-ylamino]phenyl]methyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[2-[piperidine-4-carbonyl(pyridin-4-yl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[2-[isonipecotoyl(4-pyridyl)amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C31H33N5O4 MolecularWeight: 539.62482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3N(C4=CC=NC=C4)C(=O)C5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3N(C4=CC=NC=C4)C(=O)C5CCNCC5

InChI

InChI=1S/C31H33N5O4/c1-31(2,3)40-30(39)35-19-14-21-8-9-23(20-27(21)35)34-28(37)25-6-4-5-7-26(25)36(24-12-17-33-18-13-24)29(38)22-10-15-32-16-11-22/h4-9,12-14,17-20,22,32H,10-11,15-16H2,1-3H3,(H,34,37)