ethyl 4-[[(1Z)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1Z)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]benzoate Openeye Name: ethyl 4-[[(1Z)-1-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]benzoate CAS Name: 4-[[(1Z)-1-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1Z)-1-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)ethyl]amino]benzoate Traditional Name: 4-[[(1Z)-1-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)ethyl]amino]benzoic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-4-9-20-21(22(27)26(25-20)19-10-7-6-8-11-19)16(3)24-18-14-12-17(13-15-18)23(28)29-5-2/h6-8,10-15,24H,4-5,9H2,1-3H3/b21-16-