1-[(4-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C18H22BrN3 MolecularWeight: 360.29138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3/c1-14-3-8-17(21-13-14)18(15-4-6-16(19)7-5-15)22-11-2-9-20-10-12-22/h3-8,13,18,20H,2,9-12H2,1H3