(5-bromanylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-3-pyridyl)methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromopyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-3-pyridyl)methanone Formula: C18H20BrN3O MolecularWeight: 374.2749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O/c19-17-11-16(12-20-13-17)18(23)22-8-4-7-21(9-10-22)14-15-5-2-1-3-6-15/h1-3,5-6,11-13H,4,7-10,14H2