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

Systemtic Name: 4-[[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)piperazino]methyl]benzonitrile Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl)OC1

InChI

InChI=1S/C22H22ClN3O3/c23-19-12-18(13-20-21(19)29-11-1-10-28-20)22(27)26-8-6-25(7-9-26)15-17-4-2-16(14-24)3-5-17/h2-5,12-13H,1,6-11,15H2