(E)-N-[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]-4-chloranyl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]-4-chloranyl-but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]-4-chloro-but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolinyl]-4-chloro-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-chlorobut-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]-4-chloro-but-2-enamide Formula: C21H16BrClN4O2 MolecularWeight: 471.73434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=CC=C3)Br)C#N)NC(=O)C=CCCl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=CC=C3)Br)C#N)NC(=O)/C=C/CCl

InChI

InChI=1S/C21H16BrClN4O2/c1-29-19-10-17-16(9-18(19)27-20(28)6-3-7-23)21(13(11-24)12-25-17)26-15-5-2-4-14(22)8-15/h2-6,8-10,12H,7H2,1H3,(H,25,26)(H,27,28)/b6-3+