3-[2-(azepan-1-yl)ethyl]-N2-phenyl-benzene-1,2-diamine

Systemtic Name: 3-[2-(azepan-1-yl)ethyl]-N2-phenyl-benzene-1,2-diamine Openeye Name: 3-[2-(azepan-1-yl)ethyl]-N2-phenyl-benzene-1,2-diamine CAS Name: 3-[2-(1-azepanyl)ethyl]-N2-phenylbenzene-1,2-diamine IUPAC Name: 3-[2-(azepan-1-yl)ethyl]-2-N-phenylbenzene-1,2-diamine Traditional Name: [2-amino-6-[2-(azepan-1-yl)ethyl]phenyl]-phenyl-amine Formula: C20H27N3 MolecularWeight: 309.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2=C(C(=CC=C2)N)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCC2=C(C(=CC=C2)N)NC3=CC=CC=C3

InChI

InChI=1S/C20H27N3/c21-19-12-8-9-17(13-16-23-14-6-1-2-7-15-23)20(19)22-18-10-4-3-5-11-18/h3-5,8-12,22H,1-2,6-7,13-16,21H2