1-[(2,4-dimethylphenyl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(2,4-dimethylphenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2,4-dimethylphenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dimethylphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dimethylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2,4-dimethylphenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C19H25N3 MolecularWeight: 295.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)C

InChI

InChI=1S/C19H25N3/c1-15-7-8-17(16(2)14-15)19(18-6-3-4-10-21-18)22-12-5-9-20-11-13-22/h3-4,6-8,10,14,19-20H,5,9,11-13H2,1-2H3