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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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