3-[3,5-bis(fluoranyl)phenyl]-7-oxidanyl-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one

Systemtic Name: 3-[3,5-bis(fluoranyl)phenyl]-7-oxidanyl-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one Openeye Name: 3-(3,5-difluorophenyl)-7-hydroxy-8-[(2-pyridylmethylamino)methyl]chromen-2-one CAS Name: 3-(3,5-difluorophenyl)-7-hydroxy-8-[(2-pyridinylmethylamino)methyl]-1-benzopyran-2-one IUPAC Name: 3-(3,5-difluorophenyl)-7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one Traditional Name: 3-(3,5-difluorophenyl)-7-hydroxy-8-[(2-pyridylmethylamino)methyl]coumarin Formula: C22H16F2N2O3 MolecularWeight: 394.370846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=CC(=C4)F)F)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=CC(=C4)F)F)O

InChI

InChI=1S/C22H16F2N2O3/c23-15-7-14(8-16(24)10-15)18-9-13-4-5-20(27)19(21(13)29-22(18)28)12-25-11-17-3-1-2-6-26-17/h1-10,25,27H,11-12H2