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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(4-oxidanylcyclohexyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(4-hydroxycyclohexyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(4-hydroxycyclohexyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(4-hydroxycyclohexyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(4-hydroxycyclohexyl)quinoline-3-carboxamide Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NC4CCC(CC4)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NC4CCC(CC4)O)C#N)Cl

InChI

InChI=1S/C25H25ClN4O3/c1-33-23-9-3-16(11-21(23)26)13-29-24-19-10-15(12-27)2-8-22(19)28-14-20(24)25(32)30-17-4-6-18(31)7-5-17/h2-3,8-11,14,17-18,31H,4-7,13H2,1H3,(H,28,29)(H,30,32)