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

Systemtic Name: 1-[(3-methylpyridin-2-yl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-2-pyridyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-2-pyridinyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-2-yl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-2-pyridyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C17H22N4 MolecularWeight: 282.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4/c1-14-5-2-9-20-16(14)17(15-6-3-7-19-13-15)21-11-4-8-18-10-12-21/h2-3,5-7,9,13,17-18H,4,8,10-12H2,1H3