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

Systemtic Name: 3-(2-chlorophenyl)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-chlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-chlorophenyl)-7-hydroxy-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-chlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-chlorophenyl)-7-hydroxy-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromone Formula: C21H17ClF3NO3 MolecularWeight: 423.81279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4Cl)C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4Cl)C(F)(F)F)O

InChI

InChI=1S/C21H17ClF3NO3/c22-15-6-2-1-5-12(15)17-18(28)13-7-8-16(27)14(11-26-9-3-4-10-26)19(13)29-20(17)21(23,24)25/h1-2,5-8,27H,3-4,9-11H2