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

Systemtic Name: (Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide Openeye Name: (Z)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-benzylindol-3-yl)-2-cyano-prop-2-enamide CAS Name: (Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-(phenylmethyl)-3-indolyl]-2-propenamide IUPAC Name: (Z)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enamide Traditional Name: (Z)-3-(1-benzylindol-3-yl)-2-cyano-N-piperonyl-acrylamide Formula: C27H21N3O3 MolecularWeight: 435.47394

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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=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C(=C\C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H21N3O3/c28-14-21(27(31)29-15-20-10-11-25-26(12-20)33-18-32-25)13-22-17-30(16-19-6-2-1-3-7-19)24-9-5-4-8-23(22)24/h1-13,17H,15-16,18H2,(H,29,31)/b21-13-