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

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(4-chlorobenzyl)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)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

InChI

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