N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H21BrClN3O2 MolecularWeight: 462.76734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC(C)C2=CC(=C(C=C2)OC)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC(C)C2=CC(=C(C=C2)OC)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H21BrClN3O2/c1-13(16-9-10-18(28-3)17(22)11-16)24-21(27)19-14(2)25-26(20(19)23)12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,24,27)