N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(4-fluorophenyl)methyl]-3-indolyl]-2-propenamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide Traditional Name: 2-cyano-3-[1-(4-fluorobenzyl)indol-3-yl]-N-piperonyl-acrylamide Formula: C27H20FN3O3 MolecularWeight: 453.464403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C27H20FN3O3/c28-22-8-5-18(6-9-22)15-31-16-21(23-3-1-2-4-24(23)31)12-20(13-29)27(32)30-14-19-7-10-25-26(11-19)34-17-33-25/h1-12,16H,14-15,17H2,(H,30,32)