1-(4-ethylpiperazin-1-yl)-3-[4-(oxolan-2-yl)phenyl]isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxolan-2-yl)phenyl]isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-tetrahydrofuran-2-ylphenyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(2-oxolanyl)phenyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxolan-2-yl)phenyl]isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-(tetrahydrofuryl)phenyl]isoquinoline dihydrochloride Formula: C25H31Cl2N3O MolecularWeight: 460.43914

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCO5.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCO5.Cl.Cl

InChI

InChI=1S/C25H29N3O.2ClH/c1-2-27-13-15-28(16-14-27)25-22-7-4-3-6-21(22)18-23(26-25)19-9-11-20(12-10-19)24-8-5-17-29-24;;/h3-4,6-7,9-12,18,24H,2,5,8,13-17H2,1H3;2*1H