4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(trifluoromethyl)chromen-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(trifluoromethyl)chromen-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-(trifluoromethyl)chromen-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(trifluoromethyl)chromen-2-one Traditional Name: 4-[(1-piperonyl-4-piperidyl)amino]-6-(trifluoromethyl)coumarin Formula: C23H21F3N2O4 MolecularWeight: 446.41905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)C(F)(F)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)C(F)(F)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21F3N2O4/c24-23(25,26)15-2-4-19-17(10-15)18(11-22(29)32-19)27-16-5-7-28(8-6-16)12-14-1-3-20-21(9-14)31-13-30-20/h1-4,9-11,16,27H,5-8,12-13H2