(3-bromanyl-2-fluoranyl-phenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-2-fluoranyl-phenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-2-fluoro-phenyl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-2-fluorophenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-2-fluorophenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-2-fluoro-phenyl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C18H19BrFN3O MolecularWeight: 392.265363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C(=CC=C2)Br)F)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C(=CC=C2)Br)F)CC3=CC=NC=C3

InChI

InChI=1S/C18H19BrFN3O/c19-16-4-1-3-15(17(16)20)18(24)23-10-2-9-22(11-12-23)13-14-5-7-21-8-6-14/h1,3-8H,2,9-13H2