1-[(4-ethylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylphenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethylphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-ethylphenyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C19H25N3 MolecularWeight: 295.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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