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

Systemtic Name: N-methyl-3-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide Openeye Name: N-methyl-3-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide CAS Name: 3-[[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butyl]amino]-N-methylbenzamide IUPAC Name: N-methyl-3-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide Traditional Name: 3-[[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]amino]-N-methyl-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-22-21(28)16-8-5-9-17(14-16)23-19(26)10-11-20(27)25-13-12-18(24-25)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,22,28)(H,23,26)