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

Systemtic Name: ethyl 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-4-26-20(25)18-14(2)17(15(3)21-18)19(24)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9,21H,4,10-13H2,1-3H3