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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-hexyl-quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-hexyl-quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-hexyl-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-hexylquinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-hexyl-quinoline-3-carboxamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2/c1-3-4-5-6-11-28-25(31)20-16-29-22-9-7-17(14-27)12-19(22)24(20)30-15-18-8-10-23(32-2)21(26)13-18/h7-10,12-13,16H,3-6,11,15H2,1-2H3,(H,28,31)(H,29,30)