(2R)-2-(3-fluorophenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: (2R)-2-(3-fluorophenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-2-(3-fluorophenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-2-(3-fluorophenyl)-5-(6-quinoxalinylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-2-(3-fluorophenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-2-(3-fluorophenyl)-5-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C24H20FN3S MolecularWeight: 401.499103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1C3=CC(=CC=C3)F)CC4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2S[C@H]1C3=CC(=CC=C3)F)CC4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C24H20FN3S/c25-19-5-3-4-18(15-19)23-10-13-28(22-6-1-2-7-24(22)29-23)16-17-8-9-20-21(14-17)27-12-11-26-20/h1-9,11-12,14-15,23H,10,13,16H2/t23-/m1/s1