1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

Systemtic Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol Openeye Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-2-[4-(2-pyridyl)piperazin-1-yl]ethanol CAS Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-2-[4-(2-pyridinyl)-1-piperazinyl]ethanol IUPAC Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol Traditional Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-2-[4-(2-pyridyl)piperazino]ethanol Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)C(CN3CCN(CC3)C4=CC=CC=N4)O)OC1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)C(CN3CCN(CC3)C4=CC=CC=N4)O)OC1)C

InChI

InChI=1S/C22H29N3O3/c1-22(2)15-27-19-7-6-17(13-20(19)28-16-22)18(26)14-24-9-11-25(12-10-24)21-5-3-4-8-23-21/h3-8,13,18,26H,9-12,14-16H2,1-2H3