(phenylmethyl) 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C29H34ClN3O3 MolecularWeight: 508.05156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H34ClN3O3/c1-29(2,3)22-14-16-23(17-15-22)31-27-28(35)33(18-24(34)36-19-20-10-6-4-7-11-20)25(26(30)32-27)21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3,(H,31,32)