2-adamantyl 2-(5-cyanopyridin-2-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-carboxylate

Systemtic Name: 2-adamantyl 2-(5-cyanopyridin-2-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-carboxylate Openeye Name: 2-adamantyl 2-(5-cyano-2-pyridyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-carboxylate CAS Name: 2-(5-cyano-2-pyridinyl)-1'-spiro[1,3-dihydroisoquinoline-4,4'-piperidine]carboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-(5-cyanopyridin-2-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-carboxylate Traditional Name: 2-(5-cyano-2-pyridyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-carboxylic acid 2-adamantyl ester Formula: C30H34N4O2 MolecularWeight: 482.61656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CN(CC3=CC=CC=C23)C4=NC=C(C=C4)C#N)C(=O)OC5C6CC7CC(C6)CC5C7

Isomeric SMILES

C1CN(CCC12CN(CC3=CC=CC=C23)C4=NC=C(C=C4)C#N)C(=O)OC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C30H34N4O2/c31-16-20-5-6-27(32-17-20)34-18-23-3-1-2-4-26(23)30(19-34)7-9-33(10-8-30)29(35)36-28-24-12-21-11-22(14-24)15-25(28)13-21/h1-6,17,21-22,24-25,28H,7-15,18-19H2