1-[2-(4-fluoranyl-3-methyl-phenyl)-5-(4-prop-2-enylpiperazin-1-yl)carbonyl-piperidin-1-yl]ethanone

Systemtic Name: 1-[2-(4-fluoranyl-3-methyl-phenyl)-5-(4-prop-2-enylpiperazin-1-yl)carbonyl-piperidin-1-yl]ethanone Openeye Name: 1-[5-(4-allylpiperazine-1-carbonyl)-2-(4-fluoro-3-methyl-phenyl)-1-piperidyl]ethanone CAS Name: 1-[2-(4-fluoro-3-methylphenyl)-5-[oxo-(4-prop-2-enyl-1-piperazinyl)methyl]-1-piperidinyl]ethanone IUPAC Name: 1-[2-(4-fluoro-3-methylphenyl)-5-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]ethanone Traditional Name: 1-[5-(4-allylpiperazine-1-carbonyl)-2-(4-fluoro-3-methyl-phenyl)piperidino]ethanone Formula: C22H30FN3O2 MolecularWeight: 387.490903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCC(CN2C(=O)C)C(=O)N3CCN(CC3)CC=C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCC(CN2C(=O)C)C(=O)N3CCN(CC3)CC=C)F

InChI

InChI=1S/C22H30FN3O2/c1-4-9-24-10-12-25(13-11-24)22(28)19-6-8-21(26(15-19)17(3)27)18-5-7-20(23)16(2)14-18/h4-5,7,14,19,21H,1,6,8-13,15H2,2-3H3