4-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]ethyl]cyclohex-2-en-1-one

Systemtic Name: 4-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]ethyl]cyclohex-2-en-1-one Openeye Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]cyclohex-2-en-1-one CAS Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-cyclohex-2-enone IUPAC Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]cyclohex-2-en-1-one Traditional Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]cyclohex-2-en-1-one Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C=CC1CCNCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C1CC(=O)C=CC1CCNCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H18BrNO3/c17-14-8-16-15(20-10-21-16)7-12(14)9-18-6-5-11-1-3-13(19)4-2-11/h1,3,7-8,11,18H,2,4-6,9-10H2