(2S,3R,8aR)-2-(4-bromophenyl)-3-cyclopropylcarbonyl-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile

Systemtic Name: (2S,3R,8aR)-2-(4-bromophenyl)-3-cyclopropylcarbonyl-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile Openeye Name: (2S,3R,8aR)-2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile CAS Name: (2S,3R,8aR)-2-(4-bromophenyl)-3-[cyclopropyl(oxo)methyl]-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile IUPAC Name: (2S,3R,8aR)-2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile Traditional Name: (2S,3R,8aR)-2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile Formula: C21H15BrN4O MolecularWeight: 419.274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC1C(=O)[C@H]2[C@H](C([C@@H]3N2C=C(C=C3)C#N)(C#N)C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN4O/c22-16-6-4-14(5-7-16)18-19(20(27)15-2-3-15)26-10-13(9-23)1-8-17(26)21(18,11-24)12-25/h1,4-8,10,15,17-19H,2-3H2/t17-,18-,19-/m1/s1