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

Systemtic Name: 1-[(3-methylphenyl)-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[m-tolyl(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methylphenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-methylphenyl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[m-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=C1)C(C2=CC=NC=C2)N3CCCNCC3

Isomeric SMILES

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

InChI

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