8-methyl-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methyl-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Openeye Name: 8-methyl-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-(4-methylsulfonyl-1-piperazinyl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-methyl-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesylpiperazino)-8-methyl-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(F)(F)F)N=C2N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(F)(F)F)N=C2N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H20F3N3O3S/c1-13-3-5-17-15(11-13)19(25-7-9-26(10-8-25)30(2,27)28)24-16-12-14(20(21,22)23)4-6-18(16)29-17/h3-6,11-12H,7-10H2,1-2H3