2-[3-oxidanylidene-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid

Systemtic Name: 2-[3-oxidanylidene-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid Openeye Name: 2-[3-oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid CAS Name: 2-[3-oxo-3-[(1-phenyl-3-pyrazolyl)amino]propyl]hexanoic acid IUPAC Name: 2-[3-oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid Traditional Name: 2-[3-keto-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H23N3O3/c1-2-3-7-14(18(23)24)10-11-17(22)19-16-12-13-21(20-16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3,(H,23,24)(H,19,20,22)