4-azanyl-2-(4-bromophenyl)-5-ethyl-1-methyl-pyrazol-3-one

Systemtic Name: 4-azanyl-2-(4-bromophenyl)-5-ethyl-1-methyl-pyrazol-3-one Openeye Name: 4-amino-2-(4-bromophenyl)-5-ethyl-1-methyl-pyrazol-3-one CAS Name: 4-amino-2-(4-bromophenyl)-5-ethyl-1-methyl-3-pyrazolone IUPAC Name: 4-amino-2-(4-bromophenyl)-5-ethyl-1-methylpyrazol-3-one Traditional Name: 4-amino-2-(4-bromophenyl)-5-ethyl-1-methyl-3-pyrazolin-3-one Formula: C12H14BrN3O MolecularWeight: 296.16306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1C)C2=CC=C(C=C2)Br)N

Isomeric SMILES

CCC1=C(C(=O)N(N1C)C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C12H14BrN3O/c1-3-10-11(14)12(17)16(15(10)2)9-6-4-8(13)5-7-9/h4-7H,3,14H2,1-2H3