(E)-4-bromanyl-N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]but-2-enamide

Systemtic Name: (E)-4-bromanyl-N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]but-2-enamide Openeye Name: (E)-N-[4-(4-benzyloxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-bromo-but-2-enamide CAS Name: (E)-4-bromo-N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxy-6-quinolinyl]-2-butenamide IUPAC Name: (E)-4-bromo-N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide Traditional Name: (E)-N-[4-(4-benzoxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-bromo-but-2-enamide Formula: C29H24BrClN4O3 MolecularWeight: 591.88286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)NC(=O)C=CCBr

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)NC(=O)/C=C/CBr

InChI

InChI=1S/C29H24BrClN4O3/c1-2-37-27-15-24-22(14-25(27)35-28(36)9-6-12-30)29(20(16-32)17-33-24)34-21-10-11-26(23(31)13-21)38-18-19-7-4-3-5-8-19/h3-11,13-15,17H,2,12,18H2,1H3,(H,33,34)(H,35,36)/b9-6+