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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C21H26ClN3O3/c1-13-5-6-16(22)11-17(13)25-9-7-24(8-10-25)12-18(26)20-14(2)19(15(3)23-20)21(27)28-4/h5-6,11,23H,7-10,12H2,1-4H3