(1S,2S,3aR)-2-(4-bromophenyl)-1-(4-fluorophenyl)carbonyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Systemtic Name: (1S,2S,3aR)-2-(4-bromophenyl)-1-(4-fluorophenyl)carbonyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Openeye Name: (1S,2S,3aR)-2-(4-bromophenyl)-1-(4-fluorobenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile CAS Name: (1S,2S,3aR)-2-(4-bromophenyl)-1-[(4-fluorophenyl)-oxomethyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile IUPAC Name: (1S,2S,3aR)-2-(4-bromophenyl)-1-(4-fluorobenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Traditional Name: (1S,2S,3aR)-2-(4-bromophenyl)-1-(4-fluorobenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Formula: C27H17BrFN3O MolecularWeight: 498.345783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC=C(C=C4)Br)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H](C3(C#N)C#N)C4=CC=C(C=C4)Br)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H17BrFN3O/c28-20-10-5-18(6-11-20)24-25(26(33)19-7-12-21(29)13-8-19)32-22-4-2-1-3-17(22)9-14-23(32)27(24,15-30)16-31/h1-14,23-25H/t23-,24-,25+/m1/s1