2-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-phenyl-pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-5-phenyl-pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[(3S)-2-oxo-3-azepanyl]-5-phenyl-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-5-phenylpyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[(3S)-2-ketoazepan-3-yl]-5-phenyl-pyrazole-3-carboxamide Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O2/c23-16-9-11-17(12-10-16)27-20(14-19(26-27)15-6-2-1-3-7-15)22(29)25-18-8-4-5-13-24-21(18)28/h1-3,6-7,9-12,14,18H,4-5,8,13H2,(H,24,28)(H,25,29)/t18-/m0/s1