3-methylbutyl 2-[1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-fluorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-fluorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-fluorobenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C18H23FN2O4 MolecularWeight: 350.384623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN2O4/c1-12(2)7-10-25-16(22)11-15-17(23)20-8-9-21(15)18(24)13-3-5-14(19)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,20,23)