[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=CC(=C4)NC5=NC=NC(=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=CC(=C4)NC5=NC=NC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H26N4O4/c36-29-25-15-14-21(16-26(25)30(37)35(29)23-11-5-2-6-12-23)31(38)39-24-13-7-10-22(17-24)34-28-18-27(32-19-33-28)20-8-3-1-4-9-20/h1,3-4,7-10,13-19,23H,2,5-6,11-12H2,(H,32,33,34)