4-bromanyl-1-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-[(E)-1-(4-pyridyl)ethylideneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-[(E)-1-(4-pyridyl)ethylideneamino]pyrazole-3-carboxamide Formula: C12H12BrN5O MolecularWeight: 322.16058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C=C1Br)C)C2=CC=NC=C2

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C=C1Br)C)/C2=CC=NC=C2

InChI

InChI=1S/C12H12BrN5O/c1-8(9-3-5-14-6-4-9)15-16-12(19)11-10(13)7-18(2)17-11/h3-7H,1-2H3,(H,16,19)/b15-8+