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

Systemtic Name: tert-butyl 6-[[4-azanyl-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-amino-2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-amino-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-amino-2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-amino-2-[[1-(4-pyridyl)isonipecotoyl]amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C31H34N6O4 MolecularWeight: 554.63946

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=C(C=C(C=C3)N)NC(=O)C4CCN(CC4)C5=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)NC(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

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