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

Systemtic Name: 3-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-1-pyridin-2-yl-piperazine Openeye Name: 3-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-1-(2-pyridyl)piperazine CAS Name: 3-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-1-(2-pyridinyl)piperazine IUPAC Name: 3-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-1-pyridin-2-ylpiperazine Traditional Name: 3-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-1-(2-pyridyl)piperazine Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCCC2=C1)CC3CN(CCN3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(OCCCC2=C1)CC3CN(CCN3)C4=CC=CC=N4)OC

InChI

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