(2S,3S,10bR)-1,1-dicyano-2-naphthalen-1-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide

Systemtic Name: (2S,3S,10bR)-1,1-dicyano-2-naphthalen-1-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide Openeye Name: (2S,3S,10bR)-1,1-dicyano-2-(1-naphthyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide CAS Name: (2S,3S,10bR)-1,1-dicyano-2-(1-naphthalenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide IUPAC Name: (2S,3S,10bR)-1,1-dicyano-2-naphthalen-1-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide Traditional Name: (2S,3S,10bR)-1,1-dicyano-2-(1-naphthyl)-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-3-carboxamide Formula: C25H18N4O MolecularWeight: 390.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3C(C(C(N3C=CC2=C1)C(=O)N)C4=CC=CC5=CC=CC=C54)(C#N)C#N

Isomeric SMILES

C1=CC=C2[C@@H]3C([C@@H]([C@H](N3C=CC2=C1)C(=O)N)C4=CC=CC5=CC=CC=C54)(C#N)C#N

InChI

InChI=1S/C25H18N4O/c26-14-25(15-27)21(20-11-5-8-16-6-1-3-9-18(16)20)22(24(28)30)29-13-12-17-7-2-4-10-19(17)23(25)29/h1-13,21-23H,(H2,28,30)/t21-,22+,23-/m1/s1