3,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C23H26N4O2/c1-15(2)14-21(28)24-18-10-12-19(13-11-18)25-23(29)22-16(3)26-27(17(22)4)20-8-6-5-7-9-20/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,29)