ethyl N-[1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamate

Systemtic Name: ethyl N-[1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamate Openeye Name: ethyl N-[1-[(2-benzyloxy-5-chloro-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamate CAS Name: N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-3-pyrazolyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate Traditional Name: N-[1-(2-benzoxy-5-chloro-benzyl)-5-methyl-pyrazol-3-yl]carbamic acid ethyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NN(C(=C1)C)CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC1=NN(C(=C1)C)CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3/c1-3-27-21(26)23-20-11-15(2)25(24-20)13-17-12-18(22)9-10-19(17)28-14-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)