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

Systemtic Name: ethyl 1-ethyl-3,5-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazine-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 1-ethyl-3,5-dimethyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazine-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O3/c1-5-26-18(4)20(17(3)21(26)23(28)29-6-2)22(27)25-14-12-24(13-15-25)16-19-10-8-7-9-11-19/h7-11H,5-6,12-16H2,1-4H3