6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonylpiperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C25H24FN3O3S MolecularWeight: 465.539763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C)F

InChI

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