N-[3-cyano-4-[(3-cyanophenyl)amino]quinolin-6-yl]-4-piperidin-1-yl-but-2-ynamide

Systemtic Name: N-[3-cyano-4-[(3-cyanophenyl)amino]quinolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[3-cyano-4-(3-cyanoanilino)-6-quinolyl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[3-cyano-4-(3-cyanoanilino)-6-quinolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[3-cyano-4-(3-cyanoanilino)quinolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[3-cyano-4-(3-cyanoanilino)-6-quinolyl]-4-piperidino-but-2-ynamide Formula: C26H22N6O MolecularWeight: 434.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H22N6O/c27-16-19-6-4-7-21(14-19)31-26-20(17-28)18-29-24-10-9-22(15-23(24)26)30-25(33)8-5-13-32-11-2-1-3-12-32/h4,6-7,9-10,14-15,18H,1-3,11-13H2,(H,29,31)(H,30,33)