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

Systemtic Name: N5-[4-(2-methylpropanoylamino)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[4-(2-methylpropanoylamino)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[4-(2-methylpropanoylamino)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-13(2)20(28)23-14-8-10-15(11-9-14)24-21(29)17-12-18(19(22)27)26(25-17)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H2,22,27)(H,23,28)(H,24,29)