(7-ethoxy-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-ethoxy-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (7-ethoxybenzofuran-2-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-ethoxy-2-benzofuranyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (7-ethoxy-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (7-ethoxybenzofuran-2-yl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H24N2O3S/c1-2-25-18-6-3-5-17-13-19(26-20(17)18)21(24)23-9-4-8-22(10-11-23)14-16-7-12-27-15-16/h3,5-7,12-13,15H,2,4,8-11,14H2,1H3