N-[2-(1,3-benzodioxol-5-yloxy)ethyl]isoquinoline-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]isoquinoline-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]isoquinoline-1-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-isoquinolinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]isoquinoline-1-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]isoquinoline-1-carboxamide Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCCNC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCCNC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C19H16N2O4/c22-19(18-15-4-2-1-3-13(15)7-8-20-18)21-9-10-23-14-5-6-16-17(11-14)25-12-24-16/h1-8,11H,9-10,12H2,(H,21,22)