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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C20H27N3 MolecularWeight: 309.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-3-17-7-10-19(22-15-17)20(18-8-5-16(2)6-9-18)23-13-4-11-21-12-14-23/h5-10,15,20-21H,3-4,11-14H2,1-2H3