1-[4-[(7-chloranyl-3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[(7-chloranyl-3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(7-chloro-3,5-dimethyl-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(7-chloro-3,5-dimethyl-2-benzofuranyl)-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(7-chloro-3,5-dimethyl-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N3CCCN(CC3)C(=O)C)C)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(O2)C(=O)N3CCCN(CC3)C(=O)C)C)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-11-9-14-12(2)16(24-17(14)15(19)10-11)18(23)21-6-4-5-20(7-8-21)13(3)22/h9-10H,4-8H2,1-3H3