2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-oxomethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5C#N

InChI

InChI=1S/C28H27N3O4/c29-18-23-3-1-2-4-24(23)20-35-25-8-6-22(7-9-25)28(32)31-13-11-30(12-14-31)19-21-5-10-26-27(17-21)34-16-15-33-26/h1-10,17H,11-16,19-20H2