3-[3,4-bis(2-methoxyphenyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride

Systemtic Name: 3-[3,4-bis(2-methoxyphenyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Openeye Name: 3-[3,4-bis(2-methoxyphenyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride CAS Name: 3-[3,4-bis(2-methoxyphenyl)phenyl]-1-(4-ethyl-1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 3-[3,4-bis(2-methoxyphenyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Traditional Name: 3-[3,4-bis(2-methoxyphenyl)phenyl]-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C35H36ClN3O2 MolecularWeight: 566.13224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)C5=CC=CC=C5OC)C6=CC=CC=C6OC.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)C5=CC=CC=C5OC)C6=CC=CC=C6OC.Cl

InChI

InChI=1S/C35H35N3O2.ClH/c1-4-37-19-21-38(22-20-37)35-27-12-6-5-11-25(27)24-32(36-35)26-17-18-28(29-13-7-9-15-33(29)39-2)31(23-26)30-14-8-10-16-34(30)40-3;/h5-18,23-24H,4,19-22H2,1-3H3;1H