4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 4-(4-fluorophenyl)-5-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 4-(4-fluorophenyl)-5-(3-isobutoxy-2-pyrrolidino-propyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C26H35FN2OS MolecularWeight: 442.632303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(CCSC2=CC=CC=C21)C3=CC=C(C=C3)F)N4CCCC4

Isomeric SMILES

CC(C)COCC(CN1C(CCSC2=CC=CC=C21)C3=CC=C(C=C3)F)N4CCCC4

InChI

InChI=1S/C26H35FN2OS/c1-20(2)18-30-19-23(28-14-5-6-15-28)17-29-24(21-9-11-22(27)12-10-21)13-16-31-26-8-4-3-7-25(26)29/h3-4,7-12,20,23-24H,5-6,13-19H2,1-2H3