2-[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-1,4-diazepan-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidino-ethanone Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H26ClN3O3/c1-15-17-13-16(22)5-6-18(17)28-20(15)21(27)25-10-4-7-23(11-12-25)14-19(26)24-8-2-3-9-24/h5-6,13H,2-4,7-12,14H2,1H3