5-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-fluorophenyl)methyl]-3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-fluorobenzyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C31H25F2N3O2S MolecularWeight: 541.610906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

InChI

InChI=1S/C31H25F2N3O2S/c32-24-9-3-1-7-22(24)20-36-27-19-21(13-14-29(27)39-28-12-6-2-8-23(28)31(36)38)30(37)35-17-15-34(16-18-35)26-11-5-4-10-25(26)33/h1-14,19H,15-18,20H2