2-[2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 2-[2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 2-[2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]ethynyl]cyclohexanol CAS Name: 2-[2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]ethynyl]-1-cyclohexanol IUPAC Name: 2-[2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 2-[2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-pyridyl]ethynyl]cyclohexanol Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)C#CC5CCCCC5O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)C#CC5CCCCC5O

InChI

InChI=1S/C28H32N4O/c1-2-31-15-17-32(18-16-31)28-25-9-5-3-8-22(25)20-26(30-28)23-13-14-29-24(19-23)12-11-21-7-4-6-10-27(21)33/h3,5,8-9,13-14,19-21,27,33H,2,4,6-7,10,15-18H2,1H3