4-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(5-bromo-2-hydroxy-phenyl)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(5-bromo-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(5-bromo-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(5-bromo-2-hydroxy-benzyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H18BrN3O2/c1-12-17(20-11-13-10-14(19)8-9-16(13)23)18(24)22(21(12)2)15-6-4-3-5-7-15/h3-10,20,23H,11H2,1-2H3