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

Systemtic Name: 1-[(2-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-ethoxyphenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-pyridyl)-o-phenetyl-methyl]-1,4-diazepane Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=NC=C(C=C2)C)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=NC=C(C=C2)C)N3CCCNCC3

InChI

InChI=1S/C20H27N3O/c1-3-24-19-8-5-4-7-17(19)20(18-10-9-16(2)15-22-18)23-13-6-11-21-12-14-23/h4-5,7-10,15,20-21H,3,6,11-14H2,1-2H3