4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-4-oxo-butanoate CAS Name: 4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-4-keto-butyrate Formula: C16H18N3O3- MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-11-16(17-14(20)8-9-15(21)22)12(2)19(18-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)(H,21,22)/p-1