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

Systemtic Name: N-[3-cyano-4-[(3-ethynylphenyl)amino]quinolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[3-cyano-4-(3-ethynylanilino)-6-quinolyl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[3-cyano-4-(3-ethynylanilino)-6-quinolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[3-cyano-4-(3-ethynylanilino)quinolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[3-cyano-4-(3-ethynylanilino)-6-quinolyl]-4-piperidino-but-2-ynamide Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CCN4CCCCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CCN4CCCCC4

InChI

InChI=1S/C27H23N5O/c1-2-20-8-6-9-22(16-20)31-27-21(18-28)19-29-25-12-11-23(17-24(25)27)30-26(33)10-7-15-32-13-4-3-5-14-32/h1,6,8-9,11-12,16-17,19H,3-5,13-15H2,(H,29,31)(H,30,33)