4-[(3-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(2-pyrazol-1-ylbenzoyl)-1,4-diazepan-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(2-pyrazol-1-ylbenzoyl)-1,4-diazepan-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(2-pyrazol-1-ylbenzoyl)-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=CC=CC=C3N4C=CC=N4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C3=CC=CC=C3N4C=CC=N4

InChI

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