tert-butyl 4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O3/c1-16-15-19(17(2)25(16)18-9-7-6-8-10-18)20(26)23-11-13-24(14-12-23)21(27)28-22(3,4)5/h6-10,15H,11-14H2,1-5H3