N-[3-(4-bromanylpyrazol-1-yl)propyl]-2-(4-methylphenyl)carbonyl-benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-2-(4-methylphenyl)carbonyl-benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-methylbenzoyl)benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-2-[(4-methylphenyl)-oxomethyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-methylbenzoyl)benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-p-toluoyl-benzamide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C21H20BrN3O2/c1-15-7-9-16(10-8-15)20(26)18-5-2-3-6-19(18)21(27)23-11-4-12-25-14-17(22)13-24-25/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,23,27)