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

Systemtic Name: ethyl 2,4-dimethyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(4-benzylpiperazino)-2-keto-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H33N3O3/c1-4-34-28(33)26-21(2)27(24-13-9-6-10-14-24)31(22(26)3)20-25(32)30-17-15-29(16-18-30)19-23-11-7-5-8-12-23/h5-14H,4,15-20H2,1-3H3