3-chloranyl-2,2-dimethyl-1-[2-(5-pyridin-3-yl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-chloranyl-2,2-dimethyl-1-[2-(5-pyridin-3-yl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-chloro-2,2-dimethyl-1-[2-[5-(3-pyridyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]propan-1-one CAS Name: 3-chloro-2,2-dimethyl-1-[2-[5-(3-pyridinyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-chloro-2,2-dimethyl-1-[2-(5-pyridin-3-yl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-chloro-2,2-dimethyl-1-[2-[5-(3-pyridyl)-1,3-benzoxazol-2-yl]pyrrolidino]propan-1-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)N1CCCC1C2=NC3=C(O2)C=CC(=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(CCl)C(=O)N1CCCC1C2=NC3=C(O2)C=CC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H22ClN3O2/c1-21(2,13-22)20(26)25-10-4-6-17(25)19-24-16-11-14(7-8-18(16)27-19)15-5-3-9-23-12-15/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3