2-[[2-(4-bromophenyl)-6-cyano-3-cyclopropylcarbonyl-1,2,3,8a-tetrahydroindolizin-1-yl]-phenyl-methylidene]propanedinitrile

Systemtic Name: 2-[[2-(4-bromophenyl)-6-cyano-3-cyclopropylcarbonyl-1,2,3,8a-tetrahydroindolizin-1-yl]-phenyl-methylidene]propanedinitrile Openeye Name: 2-[[2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl]-phenyl-methylene]propanedinitrile CAS Name: 2-[[2-(4-bromophenyl)-6-cyano-3-[cyclopropyl(oxo)methyl]-1,2,3,8a-tetrahydroindolizin-1-yl]-phenylmethylidene]propanedinitrile IUPAC Name: 2-[[2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl]-phenylmethylidene]propanedinitrile Traditional Name: 2-[[2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl]-phenyl-methylene]malononitrile Formula: C29H21BrN4O MolecularWeight: 521.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C2C(C(C3N2C=C(C=C3)C#N)C(=C(C#N)C#N)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CC1C(=O)C2C(C(C3N2C=C(C=C3)C#N)C(=C(C#N)C#N)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H21BrN4O/c30-23-11-9-20(10-12-23)26-27(25(22(15-32)16-33)19-4-2-1-3-5-19)24-13-6-18(14-31)17-34(24)28(26)29(35)21-7-8-21/h1-6,9-13,17,21,24,26-28H,7-8H2