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

Systemtic Name: ethyl 1,3,5-trimethyl-4-(4-phenylpiperazin-1-yl)carbonyl-pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3/c1-5-27-21(26)19-15(2)18(16(3)22(19)4)20(25)24-13-11-23(12-14-24)17-9-7-6-8-10-17/h6-10H,5,11-14H2,1-4H3