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

Systemtic Name: 4-azanyl-2-(3-bromophenyl)-1-methyl-5-propan-2-yl-pyrazol-3-one Openeye Name: 4-amino-2-(3-bromophenyl)-5-isopropyl-1-methyl-pyrazol-3-one CAS Name: 4-amino-2-(3-bromophenyl)-1-methyl-5-propan-2-yl-3-pyrazolone IUPAC Name: 4-amino-2-(3-bromophenyl)-1-methyl-5-propan-2-ylpyrazol-3-one Traditional Name: 4-amino-2-(3-bromophenyl)-5-isopropyl-1-methyl-3-pyrazolin-3-one Formula: C13H16BrN3O MolecularWeight: 310.18964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O/c1-8(2)12-11(15)13(18)17(16(12)3)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3