N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H22BrN3O2/c1-13(16-10-11-19(27-4)18(22)12-16)23-21(26)20-14(2)24-25(15(20)3)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,26)