3,5-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-10-14(15(20)21)11(2)18(17-10)9-13(19)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)