6,7-dimethoxy-2-[4-(phenylmethyl)piperazin-1-yl]quinolin-4-amine dihydrochloride

Systemtic Name: 6,7-dimethoxy-2-[4-(phenylmethyl)piperazin-1-yl]quinolin-4-amine dihydrochloride Openeye Name: 2-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-quinolin-4-amine dihydrochloride CAS Name: 6,7-dimethoxy-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinamine dihydrochloride IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6,7-dimethoxyquinolin-4-amine dihydrochloride Traditional Name: [2-(4-benzylpiperazino)-6,7-dimethoxy-4-quinolyl]amine dihydrochloride Formula: C22H28Cl2N4O2 MolecularWeight: 451.38932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N)OC.Cl.Cl

InChI

InChI=1S/C22H26N4O2.2ClH/c1-27-20-12-17-18(23)13-22(24-19(17)14-21(20)28-2)26-10-8-25(9-11-26)15-16-6-4-3-5-7-16;;/h3-7,12-14H,8-11,15H2,1-2H3,(H2,23,24);2*1H