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

Systemtic Name: 4-[(3-bromophenyl)amino]-N-cyano-4-methoxy-N-quinolin-6-yl-but-2-ynamide Openeye Name: 4-(3-bromoanilino)-N-cyano-4-methoxy-N-(6-quinolyl)but-2-ynamide CAS Name: 4-(3-bromoanilino)-N-cyano-4-methoxy-N-(6-quinolinyl)-2-butynamide IUPAC Name: 4-(3-bromoanilino)-N-cyano-4-methoxy-N-quinolin-6-ylbut-2-ynamide Traditional Name: 4-(3-bromoanilino)-N-cyano-4-methoxy-N-(6-quinolyl)but-2-ynamide Formula: C21H15BrN4O2 MolecularWeight: 435.2734

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Descriptors Computed from Structure

Canonical SMILES:

COC(C#CC(=O)N(C#N)C1=CC2=C(C=C1)N=CC=C2)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC(C#CC(=O)N(C#N)C1=CC2=C(C=C1)N=CC=C2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H15BrN4O2/c1-28-20(25-17-6-2-5-16(22)13-17)9-10-21(27)26(14-23)18-7-8-19-15(12-18)4-3-11-24-19/h2-8,11-13,20,25H,1H3