1-(4-bromophenyl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-methyl-pyrazole-4-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H22BrN3O2/c1-14-4-9-20(27-3)16(12-14)10-11-23-21(26)19-13-24-25(15(19)2)18-7-5-17(22)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)