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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-piperidino-but-2-ynamide Formula: C25H22BrN5O MolecularWeight: 488.37908

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN5O/c26-19-6-4-7-20(14-19)30-25-18(16-27)17-28-23-10-9-21(15-22(23)25)29-24(32)8-5-13-31-11-2-1-3-12-31/h4,6-7,9-10,14-15,17H,1-3,11-13H2,(H,28,30)(H,29,32)