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

Systemtic Name: pentyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H25ClN2O4/c1-2-3-4-13-27-19(25)14-17-20(26)22-11-12-23(17)18(24)10-7-15-5-8-16(21)9-6-15/h5-10,17H,2-4,11-14H2,1H3,(H,22,26)/b10-7+