1-[(5-bromanylthiophen-2-yl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(5-ethyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane Formula: C17H22BrN3S MolecularWeight: 380.34568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

InChI=1S/C17H22BrN3S/c1-2-13-4-5-14(20-12-13)17(15-6-7-16(18)22-15)21-10-3-8-19-9-11-21/h4-7,12,17,19H,2-3,8-11H2,1H3