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

Systemtic Name: 4-[[2,4-bis(fluoranyl)phenyl]methyl]-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2,4-difluorophenyl)methyl]-9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(2,4-difluorophenyl)methyl]-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(2,4-difluorophenyl)methyl]-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2,4-difluorobenzyl)-9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H19F2NO2S MolecularWeight: 387.442866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=C(C=C(C=C3)F)F)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=C(C=C(C=C3)F)F)C4=CC=CS4

InChI

InChI=1S/C21H19F2NO2S/c1-25-19-10-15(20-3-2-8-27-20)9-16-13-24(6-7-26-21(16)19)12-14-4-5-17(22)11-18(14)23/h2-5,8-11H,6-7,12-13H2,1H3