1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-oxidanylideneazepan-3-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-oxidanylideneazepan-3-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-oxoazepan-3-yl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-oxo-3-azepanyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-oxoazepan-3-yl)urea Traditional Name: 1-ethyl-3-(2-ketoazepan-3-yl)-1-piperonyl-urea Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C17H23N3O4/c1-2-20(10-12-6-7-14-15(9-12)24-11-23-14)17(22)19-13-5-3-4-8-18-16(13)21/h6-7,9,13H,2-5,8,10-11H2,1H3,(H,18,21)(H,19,22)