1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methyl-4-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane Formula: C16H20BrN3S MolecularWeight: 366.3191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

InChI=1S/C16H20BrN3S/c1-12-11-19-7-5-13(12)16(14-3-4-15(17)21-14)20-9-2-6-18-8-10-20/h3-5,7,11,16,18H,2,6,8-10H2,1H3