ethyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(3-methylbutanoyl)-1-(1-naphthylmethyl)pyrazole-3-carboxylate CAS Name: 4-(3-methyl-1-oxobutyl)-1-(1-naphthalenylmethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxylate Traditional Name: 4-isovaleryl-1-(1-naphthylmethyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C(=O)CC(C)C)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C(=O)CC(C)C)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3/c1-4-27-22(26)21-19(20(25)12-15(2)3)14-24(23-21)13-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,4,12-13H2,1-3H3