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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O2/c1-28-9-3-6-20(27)25-17-7-8-19-18(11-17)21(14(12-23)13-24-19)26-16-5-2-4-15(22)10-16/h2,4-5,7-8,10-11,13H,9H2,1H3,(H,24,26)(H,25,27)