4-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzenecarbonitrile Openeye Name: 4-[4-[4-(4-methylpiperazin-1-yl)anilino]-6-quinolyl]benzonitrile CAS Name: 4-[4-[4-(4-methyl-1-piperazinyl)anilino]-6-quinolinyl]benzonitrile IUPAC Name: 4-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]benzonitrile Traditional Name: 4-[4-[4-(4-methylpiperazino)anilino]-6-quinolyl]benzonitrile Formula: C27H25N5 MolecularWeight: 419.5209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=C(C=C5)C#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H25N5/c1-31-14-16-32(17-15-31)24-9-7-23(8-10-24)30-27-12-13-29-26-11-6-22(18-25(26)27)21-4-2-20(19-28)3-5-21/h2-13,18H,14-17H2,1H3,(H,29,30)