3-(4-butylphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride

Systemtic Name: 3-(4-butylphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride Openeye Name: 3-(4-butylphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride CAS Name: 3-(4-butylphenyl)-1-(4-ethyl-1-piperazinyl)isoquinoline dihydrochloride IUPAC Name: 3-(4-butylphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline dihydrochloride Traditional Name: 3-(4-butylphenyl)-1-(4-ethylpiperazino)isoquinoline dihydrochloride Formula: C25H33Cl2N3 MolecularWeight: 446.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl.Cl

InChI

InChI=1S/C25H31N3.2ClH/c1-3-5-8-20-11-13-21(14-12-20)24-19-22-9-6-7-10-23(22)25(26-24)28-17-15-27(4-2)16-18-28;;/h6-7,9-14,19H,3-5,8,15-18H2,1-2H3;2*1H