(E)-4-bromanyl-N-[4-[(3-bromophenyl)amino]-3-cyano-3,4-dihydroquinolin-6-yl]but-2-enamide

Systemtic Name: (E)-4-bromanyl-N-[4-[(3-bromophenyl)amino]-3-cyano-3,4-dihydroquinolin-6-yl]but-2-enamide Openeye Name: (E)-4-bromo-N-[4-(3-bromoanilino)-3-cyano-3,4-dihydroquinolin-6-yl]but-2-enamide CAS Name: (E)-4-bromo-N-[4-(3-bromoanilino)-3-cyano-3,4-dihydroquinolin-6-yl]-2-butenamide IUPAC Name: (E)-4-bromo-N-[4-(3-bromoanilino)-3-cyano-3,4-dihydroquinolin-6-yl]but-2-enamide Traditional Name: (E)-4-bromo-N-[4-(3-bromoanilino)-3-cyano-3,4-dihydroquinolin-6-yl]but-2-enamide Formula: C20H16Br2N4O MolecularWeight: 488.17524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2C(C=NC3=C2C=C(C=C3)NC(=O)C=CCBr)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2C(C=NC3=C2C=C(C=C3)NC(=O)/C=C/CBr)C#N

InChI

InChI=1S/C20H16Br2N4O/c21-8-2-5-19(27)25-16-6-7-18-17(10-16)20(13(11-23)12-24-18)26-15-4-1-3-14(22)9-15/h1-7,9-10,12-13,20,26H,8H2,(H,25,27)/b5-2+