methyl 4-[(E)-4-(4-chlorophenyl)-2-oxidanylidene-1-piperazin-1-yl-but-3-enyl]benzoate

Systemtic Name: methyl 4-[(E)-4-(4-chlorophenyl)-2-oxidanylidene-1-piperazin-1-yl-but-3-enyl]benzoate Openeye Name: methyl 4-[(E)-4-(4-chlorophenyl)-2-oxo-1-piperazin-1-yl-but-3-enyl]benzoate CAS Name: 4-[(E)-4-(4-chlorophenyl)-2-oxo-1-(1-piperazinyl)but-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-(4-chlorophenyl)-2-oxo-1-piperazin-1-ylbut-3-enyl]benzoate Traditional Name: 4-[(E)-4-(4-chlorophenyl)-2-keto-1-piperazino-but-3-enyl]benzoic acid methyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(=O)C=CC2=CC=C(C=C2)Cl)N3CCNCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(=O)/C=C/C2=CC=C(C=C2)Cl)N3CCNCC3

InChI

InChI=1S/C22H23ClN2O3/c1-28-22(27)18-7-5-17(6-8-18)21(25-14-12-24-13-15-25)20(26)11-4-16-2-9-19(23)10-3-16/h2-11,21,24H,12-15H2,1H3/b11-4+