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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(4-oxidanylbutyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(4-hydroxybutyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(4-hydroxybutyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(4-hydroxybutyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(4-hydroxybutyl)quinoline-3-carboxamide Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCCO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCCO)C#N)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-31-21-7-5-16(11-19(21)24)13-28-22-17-10-15(12-25)4-6-20(17)27-14-18(22)23(30)26-8-2-3-9-29/h4-7,10-11,14,29H,2-3,8-9,13H2,1H3,(H,26,30)(H,27,28)