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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(coumaran-5-ylmethyl)-4-(3-thenyl)-1,4-diazepane Formula: C19H24N2OS MolecularWeight: 328.47166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS/c1-6-20(8-9-21(7-1)14-17-5-11-23-15-17)13-16-2-3-19-18(12-16)4-10-22-19/h2-3,5,11-12,15H,1,4,6-10,13-14H2