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

Systemtic Name: 5-[(3-fluorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-5-[(3-fluorophenyl)methyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(3-fluorophenyl)methyl]-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-5-[(3-fluorophenyl)methyl]benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-5-(3-fluorobenzyl)benzo[b][1,4]benzothiazepin-6-one Formula: C32H28FN3O2S MolecularWeight: 537.647023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)F

InChI

InChI=1S/C32H28FN3O2S/c33-26-10-6-9-24(19-26)22-36-28-20-25(13-14-30(28)39-29-12-5-4-11-27(29)32(36)38)31(37)35-17-15-34(16-18-35)21-23-7-2-1-3-8-23/h1-14,19-20H,15-18,21-22H2