6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-4-(2-methylpyrazol-3-yl)carbonyl-1,4-diazepan-2-one

Systemtic Name: 6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-4-(2-methylpyrazol-3-yl)carbonyl-1,4-diazepan-2-one Openeye Name: 6-[(3-fluorophenyl)methoxy]-1-isobutyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-2-one CAS Name: 6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-4-[(2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-2-one IUPAC Name: 6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-2-one Traditional Name: 6-(3-fluorobenzyl)oxy-1-isobutyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-2-one Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC=NN2C)OCC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC=NN2C)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O3/c1-15(2)10-25-11-18(29-14-16-5-4-6-17(22)9-16)12-26(13-20(25)27)21(28)19-7-8-23-24(19)3/h4-9,15,18H,10-14H2,1-3H3