N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]indol-3-yl]prop-2-enamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]indol-3-yl]prop-2-enamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxo-ethyl]indol-3-yl]prop-2-enamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-3-indolyl]-2-propenamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]prop-2-enamide Traditional Name: 2-cyano-3-[1-[2-keto-2-(3-methoxypropylamino)ethyl]indol-3-yl]-N-piperonyl-acrylamide Formula: C26H26N4O5 MolecularWeight: 474.50844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCNC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H26N4O5/c1-33-10-4-9-28-25(31)16-30-15-20(21-5-2-3-6-22(21)30)12-19(13-27)26(32)29-14-18-7-8-23-24(11-18)35-17-34-23/h2-3,5-8,11-12,15H,4,9-10,14,16-17H2,1H3,(H,28,31)(H,29,32)