1-[(4-bromanylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)CN4C=CC=N4

InChI

InChI=1S/C21H18BrN5O2/c22-17-5-7-19(8-6-17)29-15-27-12-9-20(25-27)21(28)24-18-4-1-3-16(13-18)14-26-11-2-10-23-26/h1-13H,14-15H2,(H,24,28)