N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(dimethylamino)benzamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(dimethylamino)benzamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(dimethylamino)benzamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(dimethylamino)benzamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(dimethylamino)benzamide Traditional Name: N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(dimethylamino)benzamide Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C21H23BrN4O/c1-14-20(23-21(27)17-6-5-7-19(12-17)25(3)4)15(2)26(24-14)13-16-8-10-18(22)11-9-16/h5-12H,13H2,1-4H3,(H,23,27)