3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]benzoic acid CAS Name: 3-[3-tert-butyl-5-[[(1-naphthalenylamino)-oxomethyl]amino]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]benzoic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H24N4O3/c1-25(2,3)21-15-22(29(28-21)18-11-6-10-17(14-18)23(30)31)27-24(32)26-20-13-7-9-16-8-4-5-12-19(16)20/h4-15H,1-3H3,(H,30,31)(H2,26,27,32)