ethyl 4-[[6-(4-fluorophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[6-(4-fluorophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[6-(4-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-[(4-fluorophenyl)-oxomethyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[6-(4-fluorobenzoyl)-2-keto-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)F)OC2=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)F)OC2=O

InChI

InChI=1S/C22H22FN3O5/c1-2-30-21(28)25-11-9-24(10-12-25)14-26-18-8-5-16(13-19(18)31-22(26)29)20(27)15-3-6-17(23)7-4-15/h3-8,13H,2,9-12,14H2,1H3