N-(3,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide hydrochloride

Systemtic Name: N-(3,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide hydrochloride Openeye Name: 2-(3-methoxyphenyl)-N-(1,2,2-trimethylpropyl)quinoline-4-carboxamide hydrochloride CAS Name: N-(3,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide hydrochloride IUPAC Name: N-(3,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide hydrochloride Traditional Name: 2-(3-methoxyphenyl)-N-(1,2,2-trimethylpropyl)cinchoninamide hydrochloride Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OC.Cl

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OC.Cl

InChI

InChI=1S/C23H26N2O2.ClH/c1-15(23(2,3)4)24-22(26)19-14-21(16-9-8-10-17(13-16)27-5)25-20-12-7-6-11-18(19)20;/h6-15H,1-5H3,(H,24,26);1H