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

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-(methylamino)but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(methylamino)but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-(methylamino)-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-(methylamino)but-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(methylamino)but-2-enamide Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN5O/c1-24-9-3-6-20(28)26-17-7-8-19-18(11-17)21(14(12-23)13-25-19)27-16-5-2-4-15(22)10-16/h2-8,10-11,13,24H,9H2,1H3,(H,25,27)(H,26,28)/b6-3+