N-(3,3-dimethylbutan-2-yl)-6-methyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-(3,3-dimethylbutan-2-yl)-6-methyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-methyl-2-(4-pyridyl)-N-(1,2,2-trimethylpropyl)quinoline-4-carboxamide CAS Name: N-(3,3-dimethylbutan-2-yl)-6-methyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3,3-dimethylbutan-2-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-methyl-2-(4-pyridyl)-N-(1,2,2-trimethylpropyl)cinchoninamide Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)C(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)C(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H25N3O/c1-14-6-7-19-17(12-14)18(21(26)24-15(2)22(3,4)5)13-20(25-19)16-8-10-23-11-9-16/h6-13,15H,1-5H3,(H,24,26)