4-[(3-fluorophenyl)methyl]-1-(1-phenylpyrazol-4-yl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenylpyrazol-4-yl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenylpyrazole-4-carbonyl)-1,4-diazepan-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[oxo-(1-phenyl-4-pyrazolyl)methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenylpyrazole-4-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(1-phenylpyrazole-4-carbonyl)-1,4-diazepan-5-one Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

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