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

Systemtic Name: 6-[(3-fluorophenyl)methoxy]-4-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-1,4-diazepan-2-one Openeye Name: 6-[(3-fluorophenyl)methoxy]-1-isobutyl-4-(1-methyl-4-piperidyl)-1,4-diazepan-2-one CAS Name: 6-[(3-fluorophenyl)methoxy]-4-(1-methyl-4-piperidinyl)-1-(2-methylpropyl)-1,4-diazepan-2-one IUPAC Name: 6-[(3-fluorophenyl)methoxy]-4-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-1,4-diazepan-2-one Traditional Name: 6-(3-fluorobenzyl)oxy-1-isobutyl-4-(1-methyl-4-piperidyl)-1,4-diazepan-2-one Formula: C22H34FN3O2 MolecularWeight: 391.522663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C2CCN(CC2)C)OCC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C2CCN(CC2)C)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C22H34FN3O2/c1-17(2)12-26-14-21(28-16-18-5-4-6-19(23)11-18)13-25(15-22(26)27)20-7-9-24(3)10-8-20/h4-6,11,17,20-21H,7-10,12-16H2,1-3H3