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

Systemtic Name: 1-[(3-methylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[m-tolyl(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methylphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[m-tolyl(3-pyridyl)methyl]-1,4-diazepane Formula: C18H23N3 MolecularWeight: 281.39532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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