4-[(4-bromophenyl)methyl]-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-bromophenyl)methyl]-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(4-bromophenyl)methyl]-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-bromophenyl)methyl]-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-bromophenyl)methyl]-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-(4-bromobenzyl)-2-(4-methoxyphenyl)-5-methyl-3-pyrazolin-3-one Formula: C18H17BrN2O2 MolecularWeight: 373.24378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O2/c1-12-17(11-13-3-5-14(19)6-4-13)18(22)21(20-12)15-7-9-16(23-2)10-8-15/h3-10,20H,11H2,1-2H3