N-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-isoquinoline-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-isoquinoline-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-isoquinoline-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-1-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-phenethylisoquinoline-1-carboxamide Traditional Name: N-phenethyl-N-piperonyl-isoquinoline-1-carboxamide Formula: C26H22N2O3 MolecularWeight: 410.46448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=CC=C3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=CC=C3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H22N2O3/c29-26(25-22-9-5-4-8-21(22)12-14-27-25)28(15-13-19-6-2-1-3-7-19)17-20-10-11-23-24(16-20)31-18-30-23/h1-12,14,16H,13,15,17-18H2