4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-hydroxy-propoxy]benzonitrile Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(COC2=CC=C(C=C2)C#N)O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)CC(COC2=CC=C(C=C2)C#N)O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O4/c23-13-16-3-6-19(7-4-16)28-15-18(25)14-24-9-1-2-20(24)17-5-8-21-22(12-17)27-11-10-26-21/h3-8,12,18,20,25H,1-2,9-11,14-15H2