4-[(4-fluorophenyl)methyl]-1-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-5-one CAS Name: 4-[(4-fluorophenyl)methyl]-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 4-(4-fluorobenzyl)-1-[4-(2-pyrimidyloxy)benzyl]-1,4-diazepan-5-one Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C23H23FN4O2/c24-20-6-2-19(3-7-20)17-28-15-14-27(13-10-22(28)29)16-18-4-8-21(9-5-18)30-23-25-11-1-12-26-23/h1-9,11-12H,10,13-17H2