2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-amine

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-amine Openeye Name: 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-amine CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid; 2-propanamine IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-amine Traditional Name: isopropylamine; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.CC(C)N

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.CC(C)N

InChI

InChI=1S/C17H17N3O3.C3H9N/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;1-3(2)4/h4-9H,1-3H3,(H,21,22)(H,19,20,23);3H,4H2,1-2H3