2-(1,3-benzodioxol-5-yl)-N-(3,3-dimethylbutan-2-yl)quinoline-4-carboxamide hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3,3-dimethylbutan-2-yl)quinoline-4-carboxamide hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(1,2,2-trimethylpropyl)quinoline-4-carboxamide hydrochloride CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3,3-dimethylbutan-2-yl)-4-quinolinecarboxamide hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3,3-dimethylbutan-2-yl)quinoline-4-carboxamide hydrochloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(1,2,2-trimethylpropyl)cinchoninamide hydrochloride Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4.Cl

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C23H24N2O3.ClH/c1-14(23(2,3)4)24-22(26)17-12-19(25-18-8-6-5-7-16(17)18)15-9-10-20-21(11-15)28-13-27-20;/h5-12,14H,13H2,1-4H3,(H,24,26);1H