tert-butyl 4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H23BrN4O4 MolecularWeight: 415.28222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H23BrN4O4/c1-16(2,3)25-15(24)21-6-4-10(5-7-21)13(22)19-20-14(23)12-8-11(17)9-18-12/h8-10,18H,4-7H2,1-3H3,(H,19,22)(H,20,23)