N-[3-(4-bromanylpyrazol-1-yl)propyl]-1-[(2-chloranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-1-[(2-chloranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-1-[(2-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide Formula: C17H17BrClN5O2 MolecularWeight: 438.70618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCN2C=CC(=N2)C(=O)NCCCN3C=C(C=N3)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCN2C=CC(=N2)C(=O)NCCCN3C=C(C=N3)Br)Cl

InChI

InChI=1S/C17H17BrClN5O2/c18-13-10-21-23(11-13)8-3-7-20-17(25)15-6-9-24(22-15)12-26-16-5-2-1-4-14(16)19/h1-2,4-6,9-11H,3,7-8,12H2,(H,20,25)