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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-(4-bromobenzyl)-5-methyl-3-pyrazolin-3-one Formula: C18H15BrN4O MolecularWeight: 383.2419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H15BrN4O/c1-11-14(10-12-6-8-13(19)9-7-12)17(24)23(22-11)18-20-15-4-2-3-5-16(15)21-18/h2-9,22H,10H2,1H3,(H,20,21)