1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-enyl-piperazine dihydrochloride

Systemtic Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-enyl-piperazine dihydrochloride Openeye Name: 1-allyl-4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine dihydrochloride CAS Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-enylpiperazine dihydrochloride IUPAC Name: 1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-enylpiperazine dihydrochloride Traditional Name: 1-allyl-4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine dihydrochloride Formula: C23H30Cl2N2O MolecularWeight: 421.4031

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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)CC=C.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O.2ClH/c1-4-9-24-10-12-25(13-11-24)21-16-19-14-17(2)5-7-22(19)26-23-8-6-18(3)15-20(21)23;;/h4-8,14-15,21H,1,9-13,16H2,2-3H3;2*1H