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

Systemtic Name: N-butyl-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]aniline Openeye Name: N-butyl-4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]aniline CAS Name: N-butyl-4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]aniline IUPAC Name: N-butyl-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]aniline Traditional Name: butyl-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]amine Formula: C25H32N4 MolecularWeight: 388.54838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C25H32N4/c1-3-5-14-26-22-12-10-20(11-13-22)24-19-21-8-6-7-9-23(21)25(27-24)29-17-15-28(4-2)16-18-29/h6-13,19,26H,3-5,14-18H2,1-2H3