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

Systemtic Name: N-butyl-2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]ethanamide Openeye Name: N-butyl-2-[2-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]acetamide CAS Name: N-butyl-2-[2-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]acetamide IUPAC Name: N-butyl-2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]acetamide Traditional Name: N-butyl-2-[2-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]acetamide Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC=CC=C1C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCCNC(=O)CC1=CC=CC=C1C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C27H34N4O/c1-3-5-14-28-26(32)20-22-11-6-8-12-23(22)25-19-21-10-7-9-13-24(21)27(29-25)31-17-15-30(4-2)16-18-31/h6-13,19H,3-5,14-18,20H2,1-2H3,(H,28,32)