N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-2-bromanyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-2-bromanyl-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-2-bromo-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-phenyl-3-pyrazolyl]-2-bromobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-phenylpyrazol-3-yl]-2-bromobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-2-bromo-benzamide Formula: C23H23BrN4O2 MolecularWeight: 467.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H23BrN4O2/c24-20-13-7-6-12-18(20)22(29)26-21-19(23(30)27-14-8-1-2-9-15-27)16-25-28(21)17-10-4-3-5-11-17/h3-7,10-13,16H,1-2,8-9,14-15H2,(H,26,29)