N,N-diethyl-2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]ethanamine

Systemtic Name: N,N-diethyl-2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]ethanamine Openeye Name: N,N-diethyl-2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]ethanamine CAS Name: N,N-diethyl-2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]ethanamine IUPAC Name: N,N-diethyl-2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]ethanamine Traditional Name: diethyl-[2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]ethyl]amine Formula: C27H36N4 MolecularWeight: 416.60154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CCN(CC)CC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CCN(CC)CC

InChI

InChI=1S/C27H36N4/c1-4-29(5-2)16-15-22-11-13-23(14-12-22)26-21-24-9-7-8-10-25(24)27(28-26)31-19-17-30(6-3)18-20-31/h7-14,21H,4-6,15-20H2,1-3H3