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

Systemtic Name: methyl 2-[(4Z)-5-oxidanylidene-1-phenyl-4-[1-(pyridin-3-ylmethylamino)ethylidene]pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-5-oxo-1-phenyl-4-[1-(3-pyridylmethylamino)ethylidene]pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-5-oxo-1-phenyl-4-[1-(3-pyridinylmethylamino)ethylidene]-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-5-oxo-1-phenyl-4-[1-(pyridin-3-ylmethylamino)ethylidene]pyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-5-keto-1-phenyl-4-[1-(3-pyridylmethylamino)ethylidene]-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NCC3=CN=CC=C3

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NCC3=CN=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-14(22-13-15-7-6-10-21-12-15)19-17(11-18(25)27-2)23-24(20(19)26)16-8-4-3-5-9-16/h3-10,12,22H,11,13H2,1-2H3/b19-14-