diethyl 6-azanyl-5,7,7-tricyano-spiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate

Systemtic Name: diethyl 6-azanyl-5,7,7-tricyano-spiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate Openeye Name: diethyl 6-amino-5,7,7-tricyano-spiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate CAS Name: 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate Traditional Name: 6-amino-5,7,7-tricyano-spiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylic acid diethyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC

InChI

InChI=1S/C22H26N6O4/c1-3-31-19(29)27-9-6-21(7-10-27)17-12-28(20(30)32-4-2)8-5-15(17)16(11-23)18(26)22(21,13-24)14-25/h5,17H,3-4,6-10,12,26H2,1-2H3