(phenylmethyl) 4-[8-azanyl-1-(2-phenylethynyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[8-azanyl-1-(2-phenylethynyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[8-amino-1-(2-phenylethynyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate CAS Name: 4-[8-amino-1-(2-phenylethynyl)-3-imidazo[1,5-a]pyrazinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[8-amino-1-(2-phenylethynyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[8-amino-1-(2-phenylethynyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylic acid benzyl ester Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=C3N2C=CN=C3N)C#CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=C3N2C=CN=C3N)C#CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c28-25-24-23(12-11-20-7-3-1-4-8-20)30-26(32(24)18-15-29-25)22-13-16-31(17-14-22)27(33)34-19-21-9-5-2-6-10-21/h1-10,15,18,22H,13-14,16-17,19H2,(H2,28,29)