(E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-prop-2-en-1-one Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=CC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)/C(=C/C(=O)C3=CC4=C(C=C3)OCO4)/C5=CC=CC=C5

InChI

InChI=1S/C25H21NO3/c27-23(20-10-11-24-25(14-20)29-17-28-24)15-22(19-7-2-1-3-8-19)26-13-12-18-6-4-5-9-21(18)16-26/h1-11,14-15H,12-13,16-17H2/b22-15+