4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-pentyl-aniline

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-pentyl-aniline Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-N-pentyl-aniline CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-N-pentylaniline IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-pentylaniline Traditional Name: amyl-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]amine Formula: C26H34N4 MolecularWeight: 402.57496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCCCNC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C26H34N4/c1-3-5-8-15-27-23-13-11-21(12-14-23)25-20-22-9-6-7-10-24(22)26(28-25)30-18-16-29(4-2)17-19-30/h6-7,9-14,20,27H,3-5,8,15-19H2,1-2H3