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

Systemtic Name: methyl 2-[(4Z)-4-[1-(3-morpholin-4-ylpropylamino)ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(3-morpholinopropylamino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-[3-(4-morpholinyl)propylamino]ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(3-morpholin-4-ylpropylamino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-5-keto-4-[1-(3-morpholinopropylamino)ethylidene]-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NCCCN3CCOCC3

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NCCCN3CCOCC3

InChI

InChI=1S/C21H28N4O4/c1-16(22-9-6-10-24-11-13-29-14-12-24)20-18(15-19(26)28-2)23-25(21(20)27)17-7-4-3-5-8-17/h3-5,7-8,22H,6,9-15H2,1-2H3/b20-16-