3-[2-(4-fluoranyl-3-methyl-phenyl)-6,6-dimethyl-4-pyrrolidin-1-yl-cyclohexen-1-yl]prop-1-en-1-one

Systemtic Name: 3-[2-(4-fluoranyl-3-methyl-phenyl)-6,6-dimethyl-4-pyrrolidin-1-yl-cyclohexen-1-yl]prop-1-en-1-one Openeye Name: 3-[2-(4-fluoro-3-methyl-phenyl)-6,6-dimethyl-4-pyrrolidin-1-yl-cyclohexen-1-yl]prop-1-en-1-one CAS Name: 3-[2-(4-fluoro-3-methylphenyl)-6,6-dimethyl-4-(1-pyrrolidinyl)-1-cyclohexenyl]-1-propen-1-one IUPAC Name: 3-[2-(4-fluoro-3-methylphenyl)-6,6-dimethyl-4-pyrrolidin-1-ylcyclohexen-1-yl]prop-1-en-1-one Traditional Name: 3-[2-(4-fluoro-3-methyl-phenyl)-6,6-dimethyl-4-pyrrolidino-cyclohexen-1-yl]prop-1-en-1-one Formula: C22H28FNO MolecularWeight: 341.462223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(CC(C2)N3CCCC3)(C)C)CC=C=O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(CC(C2)N3CCCC3)(C)C)CC=C=O)F

InChI

InChI=1S/C22H28FNO/c1-16-13-17(8-9-21(16)23)19-14-18(24-10-4-5-11-24)15-22(2,3)20(19)7-6-12-25/h6,8-9,13,18H,4-5,7,10-11,14-15H2,1-3H3