tert-butyl 4-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N3O4/c1-11-14(13(3)22)12(2)19-15(11)16(23)20-7-9-21(10-8-20)17(24)25-18(4,5)6/h19H,7-10H2,1-6H3