1-[(3-bromophenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3-methyl-4-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane Formula: C18H22BrN3 MolecularWeight: 360.29138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3

InChI

InChI=1S/C18H22BrN3/c1-14-13-21-8-6-17(14)18(15-4-2-5-16(19)12-15)22-10-3-7-20-9-11-22/h2,4-6,8,12-13,18,20H,3,7,9-11H2,1H3