N5-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3/c1-14(2)21(29)25-16-8-6-7-15(11-16)13-24-22(30)18-12-19(20(23)28)27(26-18)17-9-4-3-5-10-17/h3-11,14,19H,12-13H2,1-2H3,(H2,23,28)(H,24,30)(H,25,29)