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

Systemtic Name: N-[3-cyano-4-[(3-methoxyphenyl)amino]quinolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[3-cyano-4-(3-methoxyanilino)-6-quinolyl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[3-cyano-4-(3-methoxyanilino)-6-quinolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[3-cyano-4-(3-methoxyanilino)quinolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[3-cyano-4-(m-anisidino)-6-quinolyl]-4-piperidino-but-2-ynamide Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CCN4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CCN4CCCCC4

InChI

InChI=1S/C26H25N5O2/c1-33-22-8-5-7-20(15-22)30-26-19(17-27)18-28-24-11-10-21(16-23(24)26)29-25(32)9-6-14-31-12-3-2-4-13-31/h5,7-8,10-11,15-16,18H,2-4,12-14H2,1H3,(H,28,30)(H,29,32)