1-[4-(2-azanyl-2-oxidanylidene-ethyl)naphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(2-azanyl-2-oxidanylidene-ethyl)naphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[4-(2-amino-2-oxo-ethyl)-1-naphthyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[4-(2-amino-2-oxoethyl)-1-naphthalenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2-amino-2-oxoethyl)naphthalen-1-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-[4-(2-amino-2-keto-ethyl)-1-naphthyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)CC(=O)N)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)CC(=O)N)C(=O)O

InChI

InChI=1S/C24H21N3O5/c1-31-20-8-5-9-21(32-2)23(20)19-13-17(24(29)30)26-27(19)18-11-10-14(12-22(25)28)15-6-3-4-7-16(15)18/h3-11,13H,12H2,1-2H3,(H2,25,28)(H,29,30)