N-[3-cyano-4-[(3-propan-2-ylphenyl)amino]quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[3-cyano-4-[(3-propan-2-ylphenyl)amino]quinolin-6-yl]but-2-ynamide Openeye Name: N-[3-cyano-4-(3-isopropylanilino)-6-quinolyl]but-2-ynamide CAS Name: N-[3-cyano-4-(3-propan-2-ylanilino)-6-quinolinyl]-2-butynamide IUPAC Name: N-[3-cyano-4-(3-propan-2-ylanilino)quinolin-6-yl]but-2-ynamide Traditional Name: N-[3-cyano-4-(3-isopropylanilino)-6-quinolyl]but-2-ynamide Formula: C23H20N4O MolecularWeight: 368.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC(=C3)C(C)C

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC(=C3)C(C)C

InChI

InChI=1S/C23H20N4O/c1-4-6-22(28)26-19-9-10-21-20(12-19)23(17(13-24)14-25-21)27-18-8-5-7-16(11-18)15(2)3/h5,7-12,14-15H,1-3H3,(H,25,27)(H,26,28)