(E)-N-(4-bromanyl-2-methyl-phenyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-2-methyl-phenyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-N-(4-bromo-2-methyl-phenyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(4-bromo-2-methylphenyl)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(4-bromo-2-methylphenyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Traditional Name: (E)-N-(4-bromo-2-methyl-phenyl)-3-[1-(2-cyanoethyl)indol-3-yl]acrylamide Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C21H18BrN3O/c1-15-13-17(22)8-9-19(15)24-21(26)10-7-16-14-25(12-4-11-23)20-6-3-2-5-18(16)20/h2-3,5-10,13-14H,4,12H2,1H3,(H,24,26)/b10-7+