[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=NNC(=C3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=NNC(=C3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4/c25-21(24-8-7-14-3-1-2-4-15(14)11-24)18-9-16(22-23-18)12-26-17-5-6-19-20(10-17)28-13-27-19/h1-6,9-10H,7-8,11-13H2,(H,22,23)