2-[[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylamino]-N-ethyl-benzamide

Systemtic Name: 2-[[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylamino]-N-ethyl-benzamide Openeye Name: 2-[[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]amino]-N-ethyl-benzamide CAS Name: 2-[[[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]-N-ethylbenzamide IUPAC Name: 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-ethylbenzamide Traditional Name: 2-[[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]amino]-N-ethyl-benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C21H21BrN4O2/c1-4-23-21(28)17-7-5-6-8-18(17)24-20(27)15-9-11-16(12-10-15)26-14(3)19(22)13(2)25-26/h5-12H,4H2,1-3H3,(H,23,28)(H,24,27)