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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(2-oxidanylideneazepan-3-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(2-oxoazepan-3-yl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(2-oxo-3-azepanyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(2-oxoazepan-3-yl)urea Traditional Name: 3-(2-ketoazepan-3-yl)-1-methyl-1-piperonyl-urea Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-19(9-11-5-6-13-14(8-11)23-10-22-13)16(21)18-12-4-2-3-7-17-15(12)20/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,17,20)(H,18,21)