methyl 2-[(4Z)-4-[1-(cyclohexylamino)ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-4-[1-(cyclohexylamino)ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(cyclohexylamino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-(cyclohexylamino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(cyclohexylamino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-4-[1-(cyclohexylamino)ethylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NC3CCCCC3

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NC3CCCCC3

InChI

InChI=1S/C20H25N3O3/c1-14(21-15-9-5-3-6-10-15)19-17(13-18(24)26-2)22-23(20(19)25)16-11-7-4-8-12-16/h4,7-8,11-12,15,21H,3,5-6,9-10,13H2,1-2H3/b19-14-