4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]-2-methyl-butan-2-ol

Systemtic Name: 4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]-2-methyl-butan-2-ol Openeye Name: 4-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]-2-methyl-butan-2-ol CAS Name: 4-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]-2-methyl-2-butanol IUPAC Name: 4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]-2-methylbutan-2-ol Traditional Name: 4-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-pyridyl]-2-methyl-butan-2-ol Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O/c1-4-28-13-15-29(16-14-28)24-22-8-6-5-7-19(22)17-23(27-24)20-9-10-21(26-18-20)11-12-25(2,3)30/h5-10,17-18,30H,4,11-16H2,1-3H3