5-(3-phenoxy-2-pyrrolidin-1-yl-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(3-phenoxy-2-pyrrolidin-1-yl-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(3-phenoxy-2-pyrrolidin-1-yl-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[3-phenoxy-2-(1-pyrrolidinyl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(3-phenoxy-2-pyrrolidin-1-ylpropyl)-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(3-phenoxy-2-pyrrolidino-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CN2C(CCSC3=CC=CC=C32)C4=CC=CC=C4)COC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(CN2C(CCSC3=CC=CC=C32)C4=CC=CC=C4)COC5=CC=CC=C5

InChI

InChI=1S/C28H32N2OS/c1-3-11-23(12-4-1)26-17-20-32-28-16-8-7-15-27(28)30(26)21-24(29-18-9-10-19-29)22-31-25-13-5-2-6-14-25/h1-8,11-16,24,26H,9-10,17-22H2