N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]pyrazol-4-yl]-piperonylamide Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O4/c27-21(25-8-7-15-3-1-2-4-17(15)11-25)13-26-12-18(10-23-26)24-22(28)16-5-6-19-20(9-16)30-14-29-19/h1-6,9-10,12H,7-8,11,13-14H2,(H,24,28)