tert-butyl 3-[[(2-pyrrol-1-ylphenyl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[(2-pyrrol-1-ylphenyl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazo]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C22H28N4O4/c1-22(2,3)30-21(29)26-14-8-9-16(15-26)19(27)23-24-20(28)17-10-4-5-11-18(17)25-12-6-7-13-25/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H,23,27)(H,24,28)