4-chloranyl-1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride

Systemtic Name: 4-chloranyl-1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Openeye Name: 4-chloro-1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride CAS Name: 4-chloro-1-(4-ethyl-1-piperazinyl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride IUPAC Name: 4-chloro-1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Traditional Name: 4-chloro-1-(4-ethylpiperazino)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Formula: C22H26Cl3N3O MolecularWeight: 454.82034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)Cl)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)Cl)C4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C22H24ClN3O.2ClH/c1-3-25-12-14-26(15-13-25)22-19-7-5-4-6-18(19)20(23)21(24-22)16-8-10-17(27-2)11-9-16;;/h4-11H,3,12-15H2,1-2H3;2*1H