[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-24(2,3)27(16-20-12-8-5-9-13-20)22(28)18-30-23(29)21-14-25-26(17-21)15-19-10-6-4-7-11-19/h4-14,17H,15-16,18H2,1-3H3