1-(azepan-1-yl)-2-[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(5-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperazino]ethanone Formula: C22H28ClN3O3 MolecularWeight: 417.92902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H28ClN3O3/c1-16-18-14-17(23)6-7-19(18)29-21(16)22(28)26-12-10-24(11-13-26)15-20(27)25-8-4-2-3-5-9-25/h6-7,14H,2-5,8-13,15H2,1H3