4-azanyl-2-(4-propan-2-ylphenyl)-5-pyridin-3-ylcarbonyl-quinoline-3-carboxylic acid

Systemtic Name: 4-azanyl-2-(4-propan-2-ylphenyl)-5-pyridin-3-ylcarbonyl-quinoline-3-carboxylic acid Openeye Name: 4-amino-2-(4-isopropylphenyl)-5-(pyridine-3-carbonyl)quinoline-3-carboxylic acid CAS Name: 4-amino-5-[oxo(3-pyridinyl)methyl]-2-(4-propan-2-ylphenyl)-3-quinolinecarboxylic acid IUPAC Name: 4-amino-2-(4-propan-2-ylphenyl)-5-(pyridine-3-carbonyl)quinoline-3-carboxylic acid Traditional Name: 4-amino-5-nicotinoyl-2-p-cumenyl-quinoline-3-carboxylic acid Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC(=C3C(=C2C(=O)O)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC(=C3C(=C2C(=O)O)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H21N3O3/c1-14(2)15-8-10-16(11-9-15)23-21(25(30)31)22(26)20-18(6-3-7-19(20)28-23)24(29)17-5-4-12-27-13-17/h3-14H,1-2H3,(H2,26,28)(H,30,31)