1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C18H22BrN3O MolecularWeight: 376.29078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C18H22BrN3O/c1-23-17-7-6-14(19)13-15(17)18(16-5-2-3-9-21-16)22-11-4-8-20-10-12-22/h2-3,5-7,9,13,18,20H,4,8,10-12H2,1H3