1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-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=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

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

InChI

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