(E)-N-(1,3-benzodioxol-5-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[1-(2-cyanoethyl)indol-3-yl]acrylamide Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H17N3O3/c22-10-3-11-24-13-15(17-4-1-2-5-18(17)24)6-9-21(25)23-16-7-8-19-20(12-16)27-14-26-19/h1-2,4-9,12-13H,3,11,14H2,(H,23,25)/b9-6+