1-(4-ethylpiperazin-1-yl)-3-(4-phenylbut-1-ynyl)isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-phenylbut-1-ynyl)isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-phenylbut-1-ynyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(4-phenylbut-1-ynyl)isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-phenylbut-1-ynyl)isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(4-phenylbut-1-ynyl)isoquinoline dihydrochloride Formula: C25H29Cl2N3 MolecularWeight: 442.42386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CCCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CCCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H27N3.2ClH/c1-2-27-16-18-28(19-17-27)25-24-15-9-7-13-22(24)20-23(26-25)14-8-6-12-21-10-4-3-5-11-21;;/h3-5,7,9-11,13,15,20H,2,6,12,16-19H2,1H3;2*1H