3-[[[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]amino]methyl]-N-methyl-benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=O)NC)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=O)NC)C)Br

InChI

InChI=1S/C21H21BrN4O2/c1-13-19(22)14(2)26(25-13)18-9-7-16(8-10-18)21(28)24-12-15-5-4-6-17(11-15)20(27)23-3/h4-11H,12H2,1-3H3,(H,23,27)(H,24,28)