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

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-phenyl-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-phenylpyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-3-fluoro-benzamide Formula: C23H23FN4O2 MolecularWeight: 406.452723

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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=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN4O2/c24-18-10-8-9-17(15-18)22(29)26-21-20(23(30)27-13-6-1-2-7-14-27)16-25-28(21)19-11-4-3-5-12-19/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,26,29)