3-bromanyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide

Systemtic Name: 3-bromanyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide Openeye Name: 3-bromo-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide CAS Name: 3-bromo-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]benzamide IUPAC Name: 3-bromo-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide Traditional Name: 3-bromo-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O/c1-15-17(14-24(23-15)19-10-3-2-4-11-19)8-6-12-22-20(25)16-7-5-9-18(21)13-16/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,22,25)