1-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(2-methylpyridin-4-yl)-1,4-diazepane

Systemtic Name: 1-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(2-methylpyridin-4-yl)-1,4-diazepane Openeye Name: 1-[[3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-(2-methyl-4-pyridyl)-1,4-diazepane CAS Name: 1-[[3-(3-fluorophenyl)-3-oxolanyl]methyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane IUPAC Name: 1-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(2-methylpyridin-4-yl)-1,4-diazepane Traditional Name: 1-[[3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-(2-methyl-4-pyridyl)-1,4-diazepane Formula: C22H28FN3O MolecularWeight: 369.475623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCCN(CC2)CC3(CCOC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC=CC(=C1)N2CCCN(CC2)CC3(CCOC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H28FN3O/c1-18-14-21(6-8-24-18)26-10-3-9-25(11-12-26)16-22(7-13-27-17-22)19-4-2-5-20(23)15-19/h2,4-6,8,14-15H,3,7,9-13,16-17H2,1H3