(phenylmethyl) 2-[3-(1-adamantylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-(1-adamantylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[3-(1-adamantylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C29H30ClN3O3 MolecularWeight: 504.0198

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC(=C(N(C4=O)CC(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC(=C(N(C4=O)CC(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C29H30ClN3O3/c30-26-25(23-9-5-2-6-10-23)33(17-24(34)36-18-19-7-3-1-4-8-19)28(35)27(31-26)32-29-14-20-11-21(15-29)13-22(12-20)16-29/h1-10,20-22H,11-18H2,(H,31,32)