N-[6-azanyl-3-cyano-4-[(3,4,5-trimethoxyphenyl)amino]quinolin-7-yl]-2-chloranyl-ethanamide

Systemtic Name: N-[6-azanyl-3-cyano-4-[(3,4,5-trimethoxyphenyl)amino]quinolin-7-yl]-2-chloranyl-ethanamide Openeye Name: N-[6-amino-3-cyano-4-(3,4,5-trimethoxyanilino)-7-quinolyl]-2-chloro-acetamide CAS Name: N-[6-amino-3-cyano-4-(3,4,5-trimethoxyanilino)-7-quinolinyl]-2-chloroacetamide IUPAC Name: N-[6-amino-3-cyano-4-(3,4,5-trimethoxyanilino)quinolin-7-yl]-2-chloroacetamide Traditional Name: N-[6-amino-3-cyano-4-(3,4,5-trimethoxyanilino)-7-quinolyl]-2-chloro-acetamide Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=NC3=CC(=C(C=C32)N)NC(=O)CCl)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=NC3=CC(=C(C=C32)N)NC(=O)CCl)C#N

InChI

InChI=1S/C21H20ClN5O4/c1-29-17-4-12(5-18(30-2)21(17)31-3)26-20-11(9-23)10-25-15-7-16(27-19(28)8-22)14(24)6-13(15)20/h4-7,10H,8,24H2,1-3H3,(H,25,26)(H,27,28)