N-heptan-2-yl-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-heptan-2-yl-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-(1-methylhexyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-heptan-2-yl-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-heptan-2-yl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-(1-methylhexyl)-1-phenyl-pyrazole-4-carboxamide Formula: C19H27N3O MolecularWeight: 313.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C19H27N3O/c1-5-6-8-11-14(2)20-19(23)18-15(3)21-22(16(18)4)17-12-9-7-10-13-17/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,20,23)