2-fluoranyl-N-[6-[4-(3-methyl-2-oxidanyl-butyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-(3-methyl-2-oxidanyl-butyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methyl-butyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methyl-butyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C22H29FN4O2 MolecularWeight: 400.489663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)O

Isomeric SMILES

CC(C)C(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)O

InChI

InChI=1S/C22H29FN4O2/c1-16(2)20(28)15-26-10-5-11-27(13-12-26)21-9-8-17(14-24-21)25-22(29)18-6-3-4-7-19(18)23/h3-4,6-9,14,16,20,28H,5,10-13,15H2,1-2H3,(H,25,29)