1-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea

Systemtic Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea Openeye Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea CAS Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(2-oxo-1-azepanyl)propyl]urea IUPAC Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea Traditional Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-3-[3-(2-ketoazepan-1-yl)propyl]urea Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)NCCCN2CCCCCC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)NCCCN2CCCCCC2=O)C

InChI

InChI=1S/C20H31N3O3/c1-16-8-9-18(17(2)15-16)26-14-11-22-20(25)21-10-6-13-23-12-5-3-4-7-19(23)24/h8-9,15H,3-7,10-14H2,1-2H3,(H2,21,22,25)