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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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