1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-yl)phenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-yl)phenyl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-tetrahydropyran-4-ylphenyl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(4-oxanyl)phenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-yl)phenyl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(4-tetrahydropyran-4-ylphenyl)isoquinoline hydrochloride Formula: C26H32ClN3O MolecularWeight: 438.00478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CCOCC5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CCOCC5.Cl

InChI

InChI=1S/C26H31N3O.ClH/c1-2-28-13-15-29(16-14-28)26-24-6-4-3-5-23(24)19-25(27-26)22-9-7-20(8-10-22)21-11-17-30-18-12-21;/h3-10,19,21H,2,11-18H2,1H3;1H