[6-[(4-fluoranyl-3-methyl-phenoxy)methyl]-2-methyl-azepan-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone

Systemtic Name: [6-[(4-fluoranyl-3-methyl-phenoxy)methyl]-2-methyl-azepan-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone Openeye Name: [6-[(4-fluoro-3-methyl-phenoxy)methyl]-2-methyl-azepan-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone CAS Name: [6-[(4-fluoro-3-methylphenoxy)methyl]-2-methyl-1-azepanyl]-[5-methyl-2-(2-pyrimidinyl)phenyl]methanone IUPAC Name: [6-[(4-fluoro-3-methylphenoxy)methyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone Traditional Name: [6-[(4-fluoro-3-methyl-phenoxy)methyl]-2-methyl-azepan-1-yl]-[5-methyl-2-(2-pyrimidyl)phenyl]methanone Formula: C27H30FN3O2 MolecularWeight: 447.544403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(CN1C(=O)C2=C(C=CC(=C2)C)C3=NC=CC=N3)COC4=CC(=C(C=C4)F)C

Isomeric SMILES

CC1CCCC(CN1C(=O)C2=C(C=CC(=C2)C)C3=NC=CC=N3)COC4=CC(=C(C=C4)F)C

InChI

InChI=1S/C27H30FN3O2/c1-18-8-10-23(26-29-12-5-13-30-26)24(14-18)27(32)31-16-21(7-4-6-20(31)3)17-33-22-9-11-25(28)19(2)15-22/h5,8-15,20-21H,4,6-7,16-17H2,1-3H3