1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methyl-butane-1,3-diol

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methyl-butane-1,3-diol Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-3-methyl-butane-1,3-diol CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-3-methylbutane-1,3-diol IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methylbutane-1,3-diol Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-3-methyl-butane-1,3-diol Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/c1-4-28-13-15-29(16-14-28)25-22-8-6-5-7-21(22)17-23(27-25)19-9-11-20(12-10-19)24(30)18-26(2,3)31/h5-12,17,24,30-31H,4,13-16,18H2,1-3H3