1-[4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-pyridyl]piperazino]ethanone Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C26H32N6O/c1-3-29-10-12-32(13-11-29)26-23-7-5-4-6-21(23)18-24(28-26)22-8-9-25(27-19-22)31-16-14-30(15-17-31)20(2)33/h4-9,18-19H,3,10-17H2,1-2H3