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

Systemtic Name: 1-[(2-methylphenyl)-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[o-tolyl(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methylphenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[o-tolyl(4-pyridyl)methyl]-1,4-diazepane Formula: C18H23N3 MolecularWeight: 281.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=NC=C2)N3CCCNCC3

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=NC=C2)N3CCCNCC3

InChI

InChI=1S/C18H23N3/c1-15-5-2-3-6-17(15)18(16-7-10-20-11-8-16)21-13-4-9-19-12-14-21/h2-3,5-8,10-11,18-19H,4,9,12-14H2,1H3