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

Systemtic Name: 1-[(2,5-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-15-5-7-17(3)18(13-15)20(19-8-6-16(2)14-22-19)23-11-4-9-21-10-12-23/h5-8,13-14,20-21H,4,9-12H2,1-3H3