methyl 5-methyl-1-[N-(3-methylbutyl)-C-phenyl-carbonimidoyl]pyrazole-3-carboxylate

Systemtic Name: methyl 5-methyl-1-[N-(3-methylbutyl)-C-phenyl-carbonimidoyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(N-isopentyl-C-phenyl-carbonimidoyl)-5-methyl-pyrazole-3-carboxylate CAS Name: 5-methyl-1-[3-methylbutylimino(phenyl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-1-[N-(3-methylbutyl)-C-phenylcarbonimidoyl]pyrazole-3-carboxylate Traditional Name: 1-(N-isoamyl-C-phenyl-carbonimidoyl)-5-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H23N3O2 MolecularWeight: 313.39412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=NCCC(C)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1C(=NCCC(C)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H23N3O2/c1-13(2)10-11-19-17(15-8-6-5-7-9-15)21-14(3)12-16(20-21)18(22)23-4/h5-9,12-13H,10-11H2,1-4H3