ethyl 1-ethyl-3,5-dimethyl-4-(4-phenylpiperazin-1-yl)carbonyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-ethyl-3,5-dimethyl-4-(4-phenylpiperazin-1-yl)carbonyl-pyrrole-2-carboxylate Openeye Name: ethyl 1-ethyl-3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylate CAS Name: 1-ethyl-3,5-dimethyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylate Traditional Name: 1-ethyl-3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-5-25-17(4)19(16(3)20(25)22(27)28-6-2)21(26)24-14-12-23(13-15-24)18-10-8-7-9-11-18/h7-11H,5-6,12-15H2,1-4H3