ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)19-14-16(2)24(17(19)3)15-20(25)23-12-10-22(11-13-23)18-8-6-5-7-9-18/h5-9,14H,4,10-13,15H2,1-3H3