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

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-methylbenzofuran-2-yl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H22N2O2S MolecularWeight: 354.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C20H22N2O2S/c1-15-17-5-2-3-6-18(17)24-19(15)20(23)22-9-4-8-21(10-11-22)13-16-7-12-25-14-16/h2-3,5-7,12,14H,4,8-11,13H2,1H3