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

Systemtic Name: 4-azanyl-2-(3-bromophenyl)-5-tert-butyl-1-methyl-pyrazol-3-one Openeye Name: 4-amino-2-(3-bromophenyl)-5-tert-butyl-1-methyl-pyrazol-3-one CAS Name: 4-amino-2-(3-bromophenyl)-5-tert-butyl-1-methyl-3-pyrazolone IUPAC Name: 4-amino-2-(3-bromophenyl)-5-tert-butyl-1-methylpyrazol-3-one Traditional Name: 4-amino-2-(3-bromophenyl)-5-tert-butyl-1-methyl-3-pyrazolin-3-one Formula: C14H18BrN3O MolecularWeight: 324.21622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1C)C2=CC(=CC=C2)Br)N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1C)C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C14H18BrN3O/c1-14(2,3)12-11(16)13(19)18(17(12)4)10-7-5-6-9(15)8-10/h5-8H,16H2,1-4H3