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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C19H23N3O2/c1-14-4-2-8-21-18(14)19(22-10-3-7-20-9-11-22)15-5-6-16-17(12-15)24-13-23-16/h2,4-6,8,12,19-20H,3,7,9-11,13H2,1H3