1-[(3-bromanylthiophen-2-yl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromanylthiophen-2-yl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromo-2-thiophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromothiophen-2-yl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C17H22BrN3S MolecularWeight: 380.34568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C17H22BrN3S/c1-14-4-2-5-15(19-14)12-20-7-3-8-21(10-9-20)13-17-16(18)6-11-22-17/h2,4-6,11H,3,7-10,12-13H2,1H3