1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride

Systemtic Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride Openeye Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride CAS Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine dihydrochloride IUPAC Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine dihydrochloride Traditional Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride Formula: C21H28Cl2N2O MolecularWeight: 395.36582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C)C(C2)N4CCN(CC4)C.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C)C(C2)N4CCN(CC4)C.Cl.Cl

InChI

InChI=1S/C21H26N2O.2ClH/c1-15-4-6-20-17(12-15)14-19(23-10-8-22(3)9-11-23)18-13-16(2)5-7-21(18)24-20;;/h4-7,12-13,19H,8-11,14H2,1-3H3;2*1H