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

Systemtic Name: N-[1-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[2-(isochroman-1-ylmethylamino)-2-oxo-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-2-oxoethyl]-4-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[2-(isochroman-1-ylmethylamino)-2-keto-ethyl]pyrazol-4-yl]-piperonylamide Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CN3C=C(C=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=O)CN3C=C(C=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O5/c28-22(24-11-21-18-4-2-1-3-15(18)7-8-30-21)13-27-12-17(10-25-27)26-23(29)16-5-6-19-20(9-16)32-14-31-19/h1-6,9-10,12,21H,7-8,11,13-14H2,(H,24,28)(H,26,29)