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

Systemtic Name: ethyl 1-[2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[4-(4-fluorobenzoyl)piperazino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O4/c1-4-30-22(29)19-13-15(2)26(16(19)3)14-20(27)24-9-11-25(12-10-24)21(28)17-5-7-18(23)8-6-17/h5-8,13H,4,9-12,14H2,1-3H3