3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]azepan-2-one Openeye Name: 3-[[4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]methylamino]azepan-2-one CAS Name: 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]azepan-2-one Traditional Name: 3-[[4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzyl]amino]azepan-2-one Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CNC3CCCCNC3=O

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CNC3CCCCNC3=O

InChI

InChI=1S/C19H25N3O3/c1-13-17(14(2)25-22-13)12-24-16-8-6-15(7-9-16)11-21-18-5-3-4-10-20-19(18)23/h6-9,18,21H,3-5,10-12H2,1-2H3,(H,20,23)