1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C24H23FN4O MolecularWeight: 402.464023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C24H23FN4O/c25-21-5-1-4-18(15-21)19-6-7-23-20(14-19)16-22(30-23)17-28-10-3-11-29(13-12-28)24-26-8-2-9-27-24/h1-2,4-9,14-16H,3,10-13,17H2