[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-phenylazepan-1-yl)methanone

Systemtic Name: [5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-phenylazepan-1-yl)methanone Openeye Name: [5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]-(4-phenylazepan-1-yl)methanone CAS Name: [5-[(3,4-dimethylphenoxy)methyl]-3-isoxazolyl]-(4-phenyl-1-azepanyl)methanone IUPAC Name: [5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-phenylazepan-1-yl)methanone Traditional Name: [5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]-(4-phenylazepan-1-yl)methanone Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCCC(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCCC(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2O3/c1-18-10-11-22(15-19(18)2)29-17-23-16-24(26-30-23)25(28)27-13-6-9-21(12-14-27)20-7-4-3-5-8-20/h3-5,7-8,10-11,15-16,21H,6,9,12-14,17H2,1-2H3