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

Systemtic Name: tert-butyl 6-[[4-azanyl-2-[methanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-amino-2-[formyl-[1-(4-pyridyl)-4-piperidyl]amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-amino-2-[formyl-(1-pyridin-4-yl-4-piperidinyl)amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-amino-2-[formyl-(1-pyridin-4-ylpiperidin-4-yl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-amino-2-[formyl-[1-(4-pyridyl)-4-piperidyl]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=C(C=C3)N)N(C=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)N(C=O)C4CCN(CC4)C5=CC=NC=C5

InChI

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