methyl 2-[(4E)-5-oxidanylidene-1-phenyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-5-oxidanylidene-1-phenyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-4-[(benzylamino)methylene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-5-oxo-1-phenyl-4-[[(phenylmethyl)amino]methylidene]-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-[(benzylamino)methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-[(benzylamino)methylene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C1=CNCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC\1=NN(C(=O)/C1=C/NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3/c1-26-19(24)12-18-17(14-21-13-15-8-4-2-5-9-15)20(25)23(22-18)16-10-6-3-7-11-16/h2-11,14,21H,12-13H2,1H3/b17-14+