2-(azepan-1-yl)-6-[[2,6-bis(fluoranyl)phenyl]methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(azepan-1-yl)-6-[[2,6-bis(fluoranyl)phenyl]methyl]-1H-pyrimidin-4-one Openeye Name: 2-(azepan-1-yl)-6-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-(1-azepanyl)-6-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(azepan-1-yl)-6-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(azepan-1-yl)-6-(2,6-difluorobenzyl)-1H-pyrimidin-4-one Formula: C17H19F2N3O MolecularWeight: 319.349066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C=C(N2)CC3=C(C=CC=C3F)F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)C=C(N2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C17H19F2N3O/c18-14-6-5-7-15(19)13(14)10-12-11-16(23)21-17(20-12)22-8-3-1-2-4-9-22/h5-7,11H,1-4,8-10H2,(H,20,21,23)