N-[3-(4-bromanylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C18H20BrN5O MolecularWeight: 402.2883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C18H20BrN5O/c1-13-17(14(2)24(22-13)16-7-4-3-5-8-16)18(25)20-9-6-10-23-12-15(19)11-21-23/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,25)