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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(4-pyridylmethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(4-pyridylmethyl)quinoline-3-carboxamide Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC4=CC=NC=C4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC4=CC=NC=C4)C#N)Cl

InChI

InChI=1S/C25H20ClN5O2/c1-33-23-5-3-18(11-21(23)26)14-30-24-19-10-17(12-27)2-4-22(19)29-15-20(24)25(32)31-13-16-6-8-28-9-7-16/h2-11,15H,13-14H2,1H3,(H,29,30)(H,31,32)