N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-2-methyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazine-8-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-2-methyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazine-8-carboxamide Openeye Name: 6-chloro-2-methyl-3-oxo-4-phenethyl-N-quinuclidin-3-yl-1,4-benzoxazine-8-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazine-8-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazine-8-carboxamide Traditional Name: 6-chloro-3-keto-2-methyl-4-phenethyl-N-quinuclidin-3-yl-1,4-benzoxazine-8-carboxamide Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CN4CCC3CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CN4CCC3CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H28ClN3O3/c1-16-25(31)29(12-7-17-5-3-2-4-6-17)22-14-19(26)13-20(23(22)32-16)24(30)27-21-15-28-10-8-18(21)9-11-28/h2-6,13-14,16,18,21H,7-12,15H2,1H3,(H,27,30)