ethyl 2,4-dimethyl-5-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-benzoyl-1-piperazinyl)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O4/c1-4-28-21(27)17-14(2)18(22-15(17)3)20(26)24-12-10-23(11-13-24)19(25)16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3