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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Formula: C20H27N3O MolecularWeight: 325.44788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCCNCC3

InChI

InChI=1S/C20H27N3O/c1-3-16-5-10-19(22-15-16)20(23-13-4-11-21-12-14-23)17-6-8-18(24-2)9-7-17/h5-10,15,20-21H,3-4,11-14H2,1-2H3