1-[[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]-1,4-diazepan-5-one Openeye Name: 1-[5-[(2,5-dimethylphenoxy)methyl]isoxazole-3-carbonyl]-1,4-diazepan-5-one CAS Name: 1-[[5-[(2,5-dimethylphenoxy)methyl]-3-isoxazolyl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]-1,4-diazepan-5-one Traditional Name: 1-[5-[(2,5-dimethylphenoxy)methyl]isoxazole-3-carbonyl]-1,4-diazepan-5-one Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCC(=O)NCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCC(=O)NCC3

InChI

InChI=1S/C18H21N3O4/c1-12-3-4-13(2)16(9-12)24-11-14-10-15(20-25-14)18(23)21-7-5-17(22)19-6-8-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,22)