3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1-phenyl-prop-2-yn-1-one

Systemtic Name: 3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1-phenyl-prop-2-yn-1-one Openeye Name: 3-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-1-phenyl-prop-2-yn-1-one CAS Name: 3-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-1-phenyl-2-propyn-1-one IUPAC Name: 3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1-phenylprop-2-yn-1-one Traditional Name: 3-[1-(4-ethylpiperazino)-3-isoquinolyl]-1-phenyl-prop-2-yn-1-one Formula: C24H23N3O MolecularWeight: 369.45892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O/c1-2-26-14-16-27(17-15-26)24-22-11-7-6-10-20(22)18-21(25-24)12-13-23(28)19-8-4-3-5-9-19/h3-11,18H,2,14-17H2,1H3