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

Systemtic Name: 1-[(4-bromophenyl)-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(3-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(3-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C18H22BrN3 MolecularWeight: 360.29138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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