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

Systemtic Name: cyclopentyl-[2-(4-fluoranyl-3-methyl-phenyl)-5-(4-prop-2-enylpiperazin-1-yl)carbonyl-piperidin-1-yl]methanone Openeye Name: [5-(4-allylpiperazine-1-carbonyl)-2-(4-fluoro-3-methyl-phenyl)-1-piperidyl]-cyclopentyl-methanone CAS Name: cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-[oxo-(4-prop-2-enyl-1-piperazinyl)methyl]-1-piperidinyl]methanone IUPAC Name: cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(4-prop-2-enylpiperazine-1-carbonyl)piperidin-1-yl]methanone Traditional Name: [5-(4-allylpiperazine-1-carbonyl)-2-(4-fluoro-3-methyl-phenyl)piperidino]-cyclopentyl-methanone Formula: C26H36FN3O2 MolecularWeight: 441.581343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCC(CN2C(=O)C3CCCC3)C(=O)N4CCN(CC4)CC=C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCC(CN2C(=O)C3CCCC3)C(=O)N4CCN(CC4)CC=C)F

InChI

InChI=1S/C26H36FN3O2/c1-3-12-28-13-15-29(16-14-28)25(31)22-9-11-24(21-8-10-23(27)19(2)17-21)30(18-22)26(32)20-6-4-5-7-20/h3,8,10,17,20,22,24H,1,4-7,9,11-16,18H2,2H3