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

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]quinolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[2-(3-ethynylanilino)-6-quinolyl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[2-(3-ethynylanilino)-6-quinolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[2-(3-ethynylanilino)quinolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[2-(3-ethynylanilino)-6-quinolyl]-4-piperidino-but-2-ynamide Formula: C26H24N4O MolecularWeight: 408.49496

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC3=C(C=C2)C=C(C=C3)NC(=O)C#CCN4CCCCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC3=C(C=C2)C=C(C=C3)NC(=O)C#CCN4CCCCC4

InChI

InChI=1S/C26H24N4O/c1-2-20-8-6-9-22(18-20)27-25-14-11-21-19-23(12-13-24(21)29-25)28-26(31)10-7-17-30-15-4-3-5-16-30/h1,6,8-9,11-14,18-19H,3-5,15-17H2,(H,27,29)(H,28,31)