2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-N-propyl-ethanamide Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-N-propyl-acetamide CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-N-propylacetamide IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-N-propylacetamide Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-N-propyl-acetamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCNC(=O)CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C26H32N4O/c1-3-13-27-25(31)18-20-9-11-21(12-10-20)24-19-22-7-5-6-8-23(22)26(28-24)30-16-14-29(4-2)15-17-30/h5-12,19H,3-4,13-18H2,1-2H3,(H,27,31)