phenethyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(E)-3-(4-chlorophenyl)acryloyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H23ClN2O4/c24-19-9-6-18(7-10-19)8-11-21(27)26-14-13-25-23(29)20(26)16-22(28)30-15-12-17-4-2-1-3-5-17/h1-11,20H,12-16H2,(H,25,29)/b11-8+