2-(3-chloranylphenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]propan-1-one Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C2=CC3=C(C=C2)OCCCO3)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCCC1C2=CC3=C(C=C2)OCCCO3)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H24ClNO4/c1-15(28-18-6-2-5-17(23)14-18)22(25)24-10-3-7-19(24)16-8-9-20-21(13-16)27-12-4-11-26-20/h2,5-6,8-9,13-15,19H,3-4,7,10-12H2,1H3