4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(5-oxidanylpentyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(5-oxidanylpentyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(5-hydroxypentyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(5-hydroxypentyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(5-hydroxypentyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(5-hydroxypentyl)quinoline-3-carboxamide Formula: C24H25ClN4O3 MolecularWeight: 452.9333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3/c1-32-22-8-6-17(12-20(22)25)14-29-23-18-11-16(13-26)5-7-21(18)28-15-19(23)24(31)27-9-3-2-4-10-30/h5-8,11-12,15,30H,2-4,9-10,14H2,1H3,(H,27,31)(H,28,29)