(3-cyanophenyl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: (3-cyanophenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid (3-cyanobenzyl) ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19N3O3/c22-14-16-5-4-6-17(13-16)15-27-21(26)10-9-20(25)24-12-11-19(23-24)18-7-2-1-3-8-18/h1-8,13H,9-12,15H2