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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]prop-2-enamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]prop-2-enamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(2-fluorophenyl)methyl]-3-indolyl]-2-propenamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]prop-2-enamide Traditional Name: 2-cyano-3-[1-(2-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=CC=C5F)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5F)C#N

InChI

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