3-[cyclohexyl(oxidanyl)methyl]-1-[(4-phenoxyphenyl)methyl]-6-piperidin-4-yl-piperazine-2,5-dione

Systemtic Name: 3-[cyclohexyl(oxidanyl)methyl]-1-[(4-phenoxyphenyl)methyl]-6-piperidin-4-yl-piperazine-2,5-dione Openeye Name: 3-[cyclohexyl(hydroxy)methyl]-1-[(4-phenoxyphenyl)methyl]-6-(4-piperidyl)piperazine-2,5-dione CAS Name: 3-[cyclohexyl(hydroxy)methyl]-1-[(4-phenoxyphenyl)methyl]-6-(4-piperidinyl)piperazine-2,5-dione IUPAC Name: 3-[cyclohexyl(hydroxy)methyl]-1-[(4-phenoxyphenyl)methyl]-6-piperidin-4-ylpiperazine-2,5-dione Traditional Name: 3-[cyclohexyl(hydroxy)methyl]-1-(4-phenoxybenzyl)-6-(4-piperidyl)piperazine-2,5-quinone Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2C(=O)N(C(C(=O)N2)C3CCNCC3)CC4=CC=C(C=C4)OC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2C(=O)N(C(C(=O)N2)C3CCNCC3)CC4=CC=C(C=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C29H37N3O4/c33-27(22-7-3-1-4-8-22)25-29(35)32(26(28(34)31-25)21-15-17-30-18-16-21)19-20-11-13-24(14-12-20)36-23-9-5-2-6-10-23/h2,5-6,9-14,21-22,25-27,30,33H,1,3-4,7-8,15-19H2,(H,31,34)