1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(coumaran-5-ylmethyl)-4-(3-pyridylmethyl)-1,4-diazepane Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CN=CC=C2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CN(CCN(C1)CC2=CN=CC=C2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H25N3O/c1-3-18(14-21-7-1)16-23-9-2-8-22(10-11-23)15-17-4-5-20-19(13-17)6-12-24-20/h1,3-5,7,13-14H,2,6,8-12,15-16H2