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

Systemtic Name: (E)-3-[3-(4-methylpiperazin-1-yl)-1-phenyl-isoquinolin-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methylpiperazin-1-yl)-1-phenyl-4-isoquinolyl]prop-2-enenitrile CAS Name: (E)-3-[3-(4-methyl-1-piperazinyl)-1-phenyl-4-isoquinolinyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methylpiperazin-1-yl)-1-phenylisoquinolin-4-yl]prop-2-enenitrile Traditional Name: (E)-3-[3-(4-methylpiperazino)-1-phenyl-4-isoquinolyl]acrylonitrile Formula: C23H22N4 MolecularWeight: 354.44758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4/c1-26-14-16-27(17-15-26)23-21(12-7-13-24)19-10-5-6-11-20(19)22(25-23)18-8-3-2-4-9-18/h2-12H,14-17H2,1H3/b12-7+