4-[[3,4-bis(fluoranyl)phenyl]methyl]-9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]methyl]-9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(3,4-difluorophenyl)methyl]-9-methoxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(3,4-difluorophenyl)methyl]-9-methoxy-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(3,4-difluorophenyl)methyl]-9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3,4-difluorobenzyl)-9-methoxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H20F2N2O2 MolecularWeight: 382.403206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC(=C(C=C3)F)F)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC(=C(C=C3)F)F)C4=CN=CC=C4

InChI

InChI=1S/C22H20F2N2O2/c1-27-21-11-17(16-3-2-6-25-12-16)10-18-14-26(7-8-28-22(18)21)13-15-4-5-19(23)20(24)9-15/h2-6,9-12H,7-8,13-14H2,1H3