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

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-[(5-propan-2-yl-1H-pyrazol-3-yl)carbonyl]-1,4-diazepan-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(5-isopropyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[oxo-(5-propan-2-yl-1H-pyrazol-3-yl)methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(5-isopropyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one Formula: C19H23FN4O2 MolecularWeight: 358.409923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1)C(=O)N2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)C1=CC(=NN1)C(=O)N2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H23FN4O2/c1-13(2)16-11-17(22-21-16)19(26)23-7-6-18(25)24(9-8-23)12-14-4-3-5-15(20)10-14/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,21,22)