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

Systemtic Name: 6-[(3-fluorophenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 6-[(3-fluorophenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-2-one CAS Name: 6-[(3-fluorophenyl)methoxy]-4-[(1-methyl-4-pyrazolyl)methyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 6-[(3-fluorophenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 6-(3-fluorobenzyl)oxy-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-2-one Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O2/c1-28-14-22(13-27-28)15-29-16-24(32-19-21-8-5-9-23(26)12-21)17-30(25(31)18-29)11-10-20-6-3-2-4-7-20/h2-9,12-14,24H,10-11,15-19H2,1H3