5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-oxidanylpropyl)benzamide

Systemtic Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-oxidanylpropyl)benzamide Openeye Name: 5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-(3-hydroxypropyl)benzamide CAS Name: 5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-(3-hydroxypropyl)benzamide IUPAC Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-hydroxypropyl)benzamide Traditional Name: 5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-(3-hydroxypropyl)benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-2-28-11-13-29(14-12-28)25-21-8-4-3-6-19(21)17-23(27-25)20-10-9-18(7-5-15-30)22(16-20)24(26)31/h3-4,6,8-10,16-17,30H,2,5,7,11-15H2,1H3,(H2,26,31)