methyl 5-methyl-1-[N-(2-methylpropyl)-C-phenyl-carbonimidoyl]pyrazole-3-carboxylate

Systemtic Name: methyl 5-methyl-1-[N-(2-methylpropyl)-C-phenyl-carbonimidoyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(N-isobutyl-C-phenyl-carbonimidoyl)-5-methyl-pyrazole-3-carboxylate CAS Name: 5-methyl-1-[2-methylpropylimino(phenyl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-1-[N-(2-methylpropyl)-C-phenylcarbonimidoyl]pyrazole-3-carboxylate Traditional Name: 1-(N-isobutyl-C-phenyl-carbonimidoyl)-5-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-12(2)11-18-16(14-8-6-5-7-9-14)20-13(3)10-15(19-20)17(21)22-4/h5-10,12H,11H2,1-4H3