1-[(3-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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=C2)Br)N3CCCNCC3

Isomeric SMILES

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

InChI

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