(2R,3S,10bS)-2-(2,4-dichlorophenyl)-3-(4-methylphenyl)carbonyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Systemtic Name: (2R,3S,10bS)-2-(2,4-dichlorophenyl)-3-(4-methylphenyl)carbonyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Openeye Name: (2R,3S,10bS)-2-(2,4-dichlorophenyl)-3-(4-methylbenzoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile CAS Name: (2R,3S,10bS)-2-(2,4-dichlorophenyl)-3-[(4-methylphenyl)-oxomethyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile IUPAC Name: (2R,3S,10bS)-2-(2,4-dichlorophenyl)-3-(4-methylbenzoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Traditional Name: (2R,3S,10bS)-2-(2,4-dichlorophenyl)-3-p-toluoyl-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,1-dicarbonitrile Formula: C28H19Cl2N3O MolecularWeight: 484.37596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(C3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H19Cl2N3O/c1-17-6-8-19(9-7-17)26(34)25-24(22-11-10-20(29)14-23(22)30)28(15-31,16-32)27-21-5-3-2-4-18(21)12-13-33(25)27/h2-14,24-25,27H,1H3/t24-,25+,27+/m1/s1