(E)-3-(3,4-dimethoxyphenyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-pyrrolidino-phenyl)prop-2-en-1-one Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)N3CCCC3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)N3CCCC3)F)OC

InChI

InChI=1S/C21H22FNO3/c1-25-20-10-6-15(13-21(20)26-2)5-9-19(24)16-7-8-18(17(22)14-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3/b9-5+