1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-4-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-4-pyridyl)methyl]-1,4-diazepane Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-15-14-22-9-7-17(15)20(23-11-4-8-21-10-12-23)18-13-16(24-2)5-6-19(18)25-3/h5-7,9,13-14,20-21H,4,8,10-12H2,1-3H3