4-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]but-2-yn-1-ol

Systemtic Name: 4-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]but-2-yn-1-ol Openeye Name: 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]but-2-yn-1-ol CAS Name: 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-1-piperazinyl]-2-butyn-1-ol IUPAC Name: 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]but-2-yn-1-ol Traditional Name: 4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazino]but-2-yn-1-ol Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCO)C2CC3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

Isomeric SMILES

C1CN(CCN1CC#CCO)C2CC3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

InChI

InChI=1S/C22H23ClN2O2/c23-18-7-8-21-17(15-18)16-20(19-5-1-2-6-22(19)27-21)25-12-10-24(11-13-25)9-3-4-14-26/h1-2,5-8,15,20,26H,9-14,16H2