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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-propoxypropyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-propoxypropyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(3-propoxypropyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(3-propoxypropyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(3-propoxypropyl)quinoline-3-carboxamide Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O3/c1-3-10-33-11-4-9-28-25(31)20-16-29-22-7-5-17(14-27)12-19(22)24(20)30-15-18-6-8-23(32-2)21(26)13-18/h5-8,12-13,16H,3-4,9-11,15H2,1-2H3,(H,28,31)(H,29,30)