(E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19NO3/c18-16(17-9-3-1-2-4-10-17)8-6-13-5-7-14-15(11-13)20-12-19-14/h5-8,11H,1-4,9-10,12H2/b8-6+