methyl 5-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21ClFN3O4 MolecularWeight: 421.849843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H21ClFN3O4/c1-11-16(20(28)29-3)12(2)23-17(11)19(27)25-8-6-24(7-9-25)18(26)14-10-13(21)4-5-15(14)22/h4-5,10,23H,6-9H2,1-3H3