1-(4-ethylpiperazin-1-yl)-3-[6-(oxan-4-yl)pyridin-3-yl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(oxan-4-yl)pyridin-3-yl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(6-tetrahydropyran-4-yl-3-pyridyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[6-(4-oxanyl)-3-pyridinyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(oxan-4-yl)pyridin-3-yl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-(6-tetrahydropyran-4-yl-3-pyridyl)isoquinoline Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-2-28-11-13-29(14-12-28)25-22-6-4-3-5-20(22)17-24(27-25)21-7-8-23(26-18-21)19-9-15-30-16-10-19/h3-8,17-19H,2,9-16H2,1H3