3-(4-bromophenyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[2-(tert-butylamino)-2-keto-ethyl]-1H-pyrazole-5-carboxamide Formula: C16H19BrN4O2 MolecularWeight: 379.25166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN4O2/c1-16(2,3)19-14(22)9-18-15(23)13-8-12(20-21-13)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)