4-azanyl-1-(2-bromophenyl)-5-ethanoyl-pyrazole-3-carbonitrile

Systemtic Name: 4-azanyl-1-(2-bromophenyl)-5-ethanoyl-pyrazole-3-carbonitrile Openeye Name: 5-acetyl-4-amino-1-(2-bromophenyl)pyrazole-3-carbonitrile CAS Name: 5-acetyl-4-amino-1-(2-bromophenyl)-3-pyrazolecarbonitrile IUPAC Name: 5-acetyl-4-amino-1-(2-bromophenyl)pyrazole-3-carbonitrile Traditional Name: 5-acetyl-4-amino-1-(2-bromophenyl)pyrazole-3-carbonitrile Formula: C12H9BrN4O MolecularWeight: 305.13006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN1C2=CC=CC=C2Br)C#N)N

Isomeric SMILES

CC(=O)C1=C(C(=NN1C2=CC=CC=C2Br)C#N)N

InChI

InChI=1S/C12H9BrN4O/c1-7(18)12-11(15)9(6-14)16-17(12)10-5-3-2-4-8(10)13/h2-5H,15H2,1H3