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

Systemtic Name: 1-[2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]ethynyl]cyclohexanol CAS Name: 1-[2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[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#CC5(CCCCC5)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)C#CC5(CCCCC5)O

InChI

InChI=1S/C28H32N4O/c1-2-31-16-18-32(19-17-31)27-25-9-5-4-8-22(25)21-26(30-27)23-11-15-29-24(20-23)10-14-28(33)12-6-3-7-13-28/h4-5,8-9,11,15,20-21,33H,2-3,6-7,12-13,16-19H2,1H3