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

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-(3-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(3-pyrazol-1-ylbenzoyl)-1,4-diazepan-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(3-pyrazol-1-ylbenzoyl)-1,4-diazepan-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(3-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=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

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