3-[8-azanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[8-azanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid Openeye Name: 3-[8-amino-1-(3-benzyloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexanecarboxylic acid CAS Name: 3-[8-amino-1-(3-phenylmethoxyphenyl)-3-imidazo[1,5-a]pyrazinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid Traditional Name: 3-[8-amino-1-(3-benzoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexanecarboxylic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)O)C2=NC(=C3N2C=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CC(C1)C(=O)O)C2=NC(=C3N2C=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3/c27-24-23-22(18-8-5-11-21(15-18)33-16-17-6-2-1-3-7-17)29-25(30(23)13-12-28-24)19-9-4-10-20(14-19)26(31)32/h1-3,5-8,11-13,15,19-20H,4,9-10,14,16H2,(H2,27,28)(H,31,32)