N-(2-acetamidoethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: N-(2-acetamidoethyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxamide Formula: C23H22ClN5O3 MolecularWeight: 451.90548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C23H22ClN5O3/c1-14(30)26-7-8-27-23(31)18-13-28-20-5-3-15(11-25)9-17(20)22(18)29-12-16-4-6-21(32-2)19(24)10-16/h3-6,9-10,13H,7-8,12H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)