N-(5-tert-butyl-2-methoxy-phenyl)-6-chloranyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-chloranyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-chloro-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-6-chloro-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-chloro-2-(3-pyridyl)cinchoninamide Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C26H24ClN3O2/c1-26(2,3)17-7-10-24(32-4)23(12-17)30-25(31)20-14-22(16-6-5-11-28-15-16)29-21-9-8-18(27)13-19(20)21/h5-15H,1-4H3,(H,30,31)