6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C25H24FN3O3S MolecularWeight: 465.539763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)F)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)F)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C25H24FN3O3S/c1-17-10-11-23-21(14-17)25(27-22-8-3-4-9-24(22)32-23)28-12-13-29(18(2)16-28)33(30,31)20-7-5-6-19(26)15-20/h3-11,14-15,18H,12-13,16H2,1-2H3