2-[[[5-(4-fluorophenyl)pyridin-3-yl]methylamino]methyl]-3,4-dihydro-2H-chromen-8-ol hydrobromide

Systemtic Name: 2-[[[5-(4-fluorophenyl)pyridin-3-yl]methylamino]methyl]-3,4-dihydro-2H-chromen-8-ol hydrobromide Openeye Name: 2-[[[5-(4-fluorophenyl)-3-pyridyl]methylamino]methyl]chroman-8-ol hydrobromide CAS Name: 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-1-benzopyran-8-ol hydrobromide IUPAC Name: 2-[[[5-(4-fluorophenyl)pyridin-3-yl]methylamino]methyl]-3,4-dihydro-2H-chromen-8-ol hydrobromide Traditional Name: 2-[[[5-(4-fluorophenyl)-3-pyridyl]methylamino]methyl]chroman-8-ol hydrobromide Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)O)OC1CNCC3=CN=CC(=C3)C4=CC=C(C=C4)F.Br

Isomeric SMILES

C1CC2=C(C(=CC=C2)O)OC1CNCC3=CN=CC(=C3)C4=CC=C(C=C4)F.Br

InChI

InChI=1S/C22H21FN2O2.BrH/c23-19-7-4-16(5-8-19)18-10-15(11-24-13-18)12-25-14-20-9-6-17-2-1-3-21(26)22(17)27-20;/h1-5,7-8,10-11,13,20,25-26H,6,9,12,14H2;1H