(E)-3-[3-(4-methylpiperazin-1-yl)-1-phenyl-isoquinolin-4-yl]prop-2-enal

Systemtic Name: (E)-3-[3-(4-methylpiperazin-1-yl)-1-phenyl-isoquinolin-4-yl]prop-2-enal Openeye Name: (E)-3-[3-(4-methylpiperazin-1-yl)-1-phenyl-4-isoquinolyl]prop-2-enal CAS Name: (E)-3-[3-(4-methyl-1-piperazinyl)-1-phenyl-4-isoquinolinyl]-2-propenal IUPAC Name: (E)-3-[3-(4-methylpiperazin-1-yl)-1-phenylisoquinolin-4-yl]prop-2-enal Traditional Name: (E)-3-[3-(4-methylpiperazino)-1-phenyl-4-isoquinolyl]acrolein Formula: C23H23N3O MolecularWeight: 357.44822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C=CC=O

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)/C=C/C=O

InChI

InChI=1S/C23H23N3O/c1-25-13-15-26(16-14-25)23-21(12-7-17-27)19-10-5-6-11-20(19)22(24-23)18-8-3-2-4-9-18/h2-12,17H,13-16H2,1H3/b12-7+