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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[4-(dimethylamino)butyl]quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[4-(dimethylamino)butyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[4-(dimethylamino)butyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[4-(dimethylamino)butyl]quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-[4-(dimethylamino)butyl]quinoline-3-carboxamide Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN5O2/c1-31(2)11-5-4-10-28-25(32)20-16-29-22-8-6-17(14-27)12-19(22)24(20)30-15-18-7-9-23(33-3)21(26)13-18/h6-9,12-13,16H,4-5,10-11,15H2,1-3H3,(H,28,32)(H,29,30)