(E)-2-cyano-N-(2-methylphenyl)-3-[2-methyl-3-(phenylcarbonyl)indolizin-1-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-[2-methyl-3-(phenylcarbonyl)indolizin-1-yl]prop-2-enamide Openeye Name: (E)-3-(3-benzoyl-2-methyl-indolizin-1-yl)-2-cyano-N-(o-tolyl)prop-2-enamide CAS Name: (E)-3-(3-benzoyl-2-methyl-1-indolizinyl)-2-cyano-N-(2-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(3-benzoyl-2-methylindolizin-1-yl)-2-cyano-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-benzoyl-2-methyl-indolizin-1-yl)-2-cyano-N-(o-tolyl)acrylamide Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H21N3O2/c1-18-10-6-7-13-23(18)29-27(32)21(17-28)16-22-19(2)25(30-15-9-8-14-24(22)30)26(31)20-11-4-3-5-12-20/h3-16H,1-2H3,(H,29,32)/b21-16+