5-[(3-methylbutanoylamino)carbamoyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide

Systemtic Name: 5-[(3-methylbutanoylamino)carbamoyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide Openeye Name: 5-[(3-methylbutanoylamino)carbamoyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide CAS Name: 5-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide IUPAC Name: 5-[(3-methylbutanoylamino)carbamoyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide Traditional Name: 5-[(isovalerylamino)carbamoyl]-2-phenyl-2-pyrazoline-3-carboxamide Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H21N5O3/c1-10(2)8-14(22)18-19-16(24)12-9-13(15(17)23)21(20-12)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H2,17,23)(H,18,22)(H,19,24)