4-[8-fluoranyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol

Systemtic Name: 4-[8-fluoranyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol Openeye Name: 4-[8-fluoro-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol CAS Name: 4-[8-fluoro-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol IUPAC Name: 4-[8-fluoro-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol Traditional Name: 4-[8-fluoro-5-[4-(2-pyrrolidinoethoxy)phenyl]-2,3-dihydro-1-benzothiepin-4-yl]phenol Formula: C28H28FNO2S MolecularWeight: 461.590823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(CCSC4=C3C=CC(=C4)F)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(CCSC4=C3C=CC(=C4)F)C5=CC=C(C=C5)O

InChI

InChI=1S/C28H28FNO2S/c29-22-7-12-26-27(19-22)33-18-13-25(20-3-8-23(31)9-4-20)28(26)21-5-10-24(11-6-21)32-17-16-30-14-1-2-15-30/h3-12,19,31H,1-2,13-18H2