3-[4-(azepan-1-yl)but-2-ynyl]-1,1-dimethyl-urea

Systemtic Name: 3-[4-(azepan-1-yl)but-2-ynyl]-1,1-dimethyl-urea Openeye Name: 3-[4-(azepan-1-yl)but-2-ynyl]-1,1-dimethyl-urea CAS Name: 3-[4-(1-azepanyl)but-2-ynyl]-1,1-dimethylurea IUPAC Name: 3-[4-(azepan-1-yl)but-2-ynyl]-1,1-dimethylurea Traditional Name: 3-[4-(azepan-1-yl)but-2-ynyl]-1,1-dimethyl-urea Formula: C13H23N3O MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NCC#CCN1CCCCCC1

Isomeric SMILES

CN(C)C(=O)NCC#CCN1CCCCCC1

InChI

InChI=1S/C13H23N3O/c1-15(2)13(17)14-9-5-8-12-16-10-6-3-4-7-11-16/h3-4,6-7,9-12H2,1-2H3,(H,14,17)