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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(coumaran-5-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C19H26N4O MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H26N4O/c1-21-9-6-20-19(21)15-23-8-2-7-22(10-11-23)14-16-3-4-18-17(13-16)5-12-24-18/h3-4,6,9,13H,2,5,7-8,10-12,14-15H2,1H3