4-[[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazino]methyl]benzonitrile Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl)OC1

InChI

InChI=1S/C22H24ClN3O2/c23-20-12-19(13-21-22(20)28-11-1-10-27-21)16-26-8-6-25(7-9-26)15-18-4-2-17(14-24)3-5-18/h2-5,12-13H,1,6-11,15-16H2