3-(1,3-benzodioxol-5-yl)-2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(1-oxo-3-phenylprop-2-ynyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(3-phenylpropioloyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one Formula: C27H18N2O4 MolecularWeight: 434.44282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(N1C(=O)C#CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

Isomeric SMILES

C1C2=C(C(N1C(=O)C#CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

InChI

InChI=1S/C27H18N2O4/c30-24(13-10-17-6-2-1-3-7-17)29-15-20-25(28-21-9-5-4-8-19(21)27(20)31)26(29)18-11-12-22-23(14-18)33-16-32-22/h1-9,11-12,14,26H,15-16H2,(H,28,31)