1-(1-benzofuran-2-ylmethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(benzofuran-2-ylmethyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-(2-benzofuranylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(benzofuran-2-ylmethyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N3O/c1-17-6-4-8-19(22-17)15-23-10-5-11-24(13-12-23)16-20-14-18-7-2-3-9-21(18)25-20/h2-4,6-9,14H,5,10-13,15-16H2,1H3