tert-butyl N-[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamate CAS Name: N-[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-methyl-3-pyrazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate Traditional Name: N-[1-(2-benzoxy-5-bromo-benzyl)-5-methyl-pyrazol-3-yl]carbamic acid tert-butyl ester Formula: C23H26BrN3O3 MolecularWeight: 472.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H26BrN3O3/c1-16-12-21(25-22(28)30-23(2,3)4)26-27(16)14-18-13-19(24)10-11-20(18)29-15-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,25,26,28)