N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-cyano-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-cyano-benzamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-cyano-benzamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-cyanobenzamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3-cyano-benzamide Formula: C18H13BrN4O MolecularWeight: 381.22602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C18H13BrN4O/c19-16-6-4-13(5-7-16)12-23-17(8-9-21-23)22-18(24)15-3-1-2-14(10-15)11-20/h1-10H,12H2,(H,22,24)