1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(coumaran-5-ylmethyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H27N3O/c1-17-4-2-5-20(22-17)16-24-10-3-9-23(11-12-24)15-18-6-7-21-19(14-18)8-13-25-21/h2,4-7,14H,3,8-13,15-16H2,1H3