1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-pyridin-2-yl-piperazine hydrochloride

Systemtic Name: 1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-pyridin-2-yl-piperazine hydrochloride Openeye Name: 1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-(2-pyridyl)piperazine hydrochloride CAS Name: 1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-(2-pyridinyl)piperazine hydrochloride IUPAC Name: 1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-pyridin-2-ylpiperazine hydrochloride Traditional Name: 1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-(2-pyridyl)piperazine hydrochloride Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCCC2=C1)CN3CCN(CC3)C4=CC=CC=N4)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(OCCCC2=C1)CN3CCN(CC3)C4=CC=CC=N4)OC.Cl

InChI

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