methyl 4-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate Openeye Name: methyl 4-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate CAS Name: 4-[[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate Traditional Name: 4-[[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]amino]benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-28-21(27)16-7-9-17(10-8-16)22-19(25)11-12-20(26)24-14-13-18(23-24)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,25)