1-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-ynyl-piperazine dihydrochloride

Systemtic Name: 1-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-ynyl-piperazine dihydrochloride Openeye Name: 1-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-ynyl-piperazine dihydrochloride CAS Name: 1-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-ynylpiperazine dihydrochloride IUPAC Name: 1-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-prop-2-ynylpiperazine dihydrochloride Traditional Name: 1-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-propargyl-piperazine dihydrochloride Formula: C23H28Cl2N2O2 MolecularWeight: 435.38662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(CC2N4CCN(CC4)CC#C)C=CC(=C3)OC.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(CC2N4CCN(CC4)CC#C)C=CC(=C3)OC.Cl.Cl

InChI

InChI=1S/C23H26N2O2.2ClH/c1-4-9-24-10-12-25(13-11-24)21-15-18-6-7-19(26-3)16-23(18)27-22-8-5-17(2)14-20(21)22;;/h1,5-8,14,16,21H,9-13,15H2,2-3H3;2*1H