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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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