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

Systemtic Name: 1-[(2-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=CC=C2Br)N3CCCNCC3

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3

InChI

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