(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-trideca-2,4,12-trien-1-one

Systemtic Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-trideca-2,4,12-trien-1-one Openeye Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)trideca-2,4,12-trien-1-one CAS Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-trideca-2,4,12-trienone IUPAC Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yltrideca-2,4,12-trien-1-one Traditional Name: (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidino-trideca-2,4,12-trien-1-one Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC=CCCCCCCC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/C=C/CCCCCC/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H33NO3/c27-25(26-18-12-9-13-19-26)15-11-8-6-4-2-1-3-5-7-10-14-22-16-17-23-24(20-22)29-21-28-23/h6,8,10-11,14-17,20H,1-5,7,9,12-13,18-19,21H2/b8-6+,14-10+,15-11+