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

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C21H26ClN3O3/c1-5-28-21(27)19-14(3)18(15(4)23-19)20(26)25-10-8-24(9-11-25)17-12-16(22)7-6-13(17)2/h6-7,12,23H,5,8-11H2,1-4H3