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

Systemtic Name: ethyl 4-[[6-(3,4-dichlorophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[6-(3,4-dichlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-[(3,4-dichlorophenyl)-oxomethyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3,4-dichlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[6-(3,4-dichlorobenzoyl)-2-keto-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H21Cl2N3O5 MolecularWeight: 478.32524

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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)Cl)Cl)OC2=O

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O5/c1-2-31-21(29)26-9-7-25(8-10-26)13-27-18-6-4-15(12-19(18)32-22(27)30)20(28)14-3-5-16(23)17(24)11-14/h3-6,11-12H,2,7-10,13H2,1H3