3-(2,4-dichlorophenyl)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(2,4-dichlorophenyl)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromone Formula: C21H16Cl2F3NO3 MolecularWeight: 458.25785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)C(F)(F)F)O

InChI

InChI=1S/C21H16Cl2F3NO3/c22-11-3-4-12(15(23)9-11)17-18(29)13-5-6-16(28)14(10-27-7-1-2-8-27)19(13)30-20(17)21(24,25)26/h3-6,9,28H,1-2,7-8,10H2