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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-pyridylmethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(3-pyridinylmethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(3-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=CN=CC=C4)C#N)Cl

Isomeric SMILES

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

InChI

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