1-[(5-methylpyridin-2-yl)-phenyl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-methylpyridin-2-yl)-phenyl-methyl]-1,4-diazepane Openeye Name: 1-[(5-methyl-2-pyridyl)-phenyl-methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-pyridinyl)-phenylmethyl]-1,4-diazepane IUPAC Name: 1-[(5-methylpyridin-2-yl)-phenylmethyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-pyridyl)-phenyl-methyl]-1,4-diazepane Formula: C18H23N3 MolecularWeight: 281.39532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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