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

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]but-2-ynamide Formula: C20H13BrN4O MolecularWeight: 405.24742

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h3,5-10,12H,1H3,(H,23,25)(H,24,26)