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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1C)C2=CC(=CC=C2)Br)N

Isomeric SMILES

CCCC1=C(C(=O)N(N1C)C2=CC(=CC=C2)Br)N

InChI

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