5-chloranyl-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,3-dimethyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,3-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-dimethyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)Cl)C

InChI

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