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

Systemtic Name: methyl 2-[5-oxidanylidene-1-phenyl-4-[1-[(phenylmethyl)amino]ethylidene]pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[4-[1-(benzylamino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[5-oxo-1-phenyl-4-[1-[(phenylmethyl)amino]ethylidene]-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(benzylamino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[4-[1-(benzylamino)ethylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-15(22-14-16-9-5-3-6-10-16)20-18(13-19(25)27-2)23-24(21(20)26)17-11-7-4-8-12-17/h3-12,22H,13-14H2,1-2H3