3-(2,2-dimethylpropanoyl)-2-thiophen-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Systemtic Name: 3-(2,2-dimethylpropanoyl)-2-thiophen-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Openeye Name: 3-(2,2-dimethylpropanoyl)-2-(3-thienyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile CAS Name: 3-(2,2-dimethyl-1-oxopropyl)-2-(3-thiophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile IUPAC Name: 3-(2,2-dimethylpropanoyl)-2-thiophen-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Traditional Name: 3-pivaloyl-2-(3-thienyl)-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,1-dicarbonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CSC=C4

Isomeric SMILES

CC(C)(C)C(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CSC=C4

InChI

InChI=1S/C23H21N3OS/c1-22(2,3)21(27)19-18(16-9-11-28-12-16)23(13-24,14-25)20-17-7-5-4-6-15(17)8-10-26(19)20/h4-12,18-20H,1-3H3