2-[4-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]azepan-1-yl]ethanamine

Systemtic Name: 2-[4-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]azepan-1-yl]ethanamine Openeye Name: 2-[4-[2-[phenyl(2-pyridyl)methyl]sulfanylethyl]azepan-1-yl]ethanamine CAS Name: 2-[4-[2-[[phenyl(2-pyridinyl)methyl]thio]ethyl]-1-azepanyl]ethanamine IUPAC Name: 2-[4-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]azepan-1-yl]ethanamine Traditional Name: 2-[4-[2-[[phenyl(2-pyridyl)methyl]thio]ethyl]azepan-1-yl]ethylamine Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CCN)CCSC(C2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C1CC(CCN(C1)CCN)CCSC(C2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C22H31N3S/c23-13-17-25-15-6-7-19(11-16-25)12-18-26-22(20-8-2-1-3-9-20)21-10-4-5-14-24-21/h1-5,8-10,14,19,22H,6-7,11-13,15-18,23H2