3-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[4-[4-(4-methylpiperazin-1-yl)anilino]-6-quinolyl]benzonitrile CAS Name: 3-[4-[4-(4-methyl-1-piperazinyl)anilino]-6-quinolinyl]benzonitrile IUPAC Name: 3-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]benzonitrile Traditional Name: 3-[4-[4-(4-methylpiperazino)anilino]-6-quinolyl]benzonitrile Formula: C27H25N5 MolecularWeight: 419.5209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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