4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-[(2,4-dimethoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-[(2,4-dimethoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-1-piperidyl]-2-[(2,4-dimethoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]-2-[(2,4-dimethoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-2-[(2,4-dimethoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidino]-2-(2,4-dimethoxybenzyl)isoindoline-1,3-quinone Formula: C33H42N4O5 MolecularWeight: 574.71038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCN(CC5)C6CCCCC6)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCN(CC5)C6CCCCC6)OC

InChI

InChI=1S/C33H42N4O5/c1-41-26-12-11-24(29(21-26)42-2)22-37-32(39)27-9-6-10-28(30(27)33(37)40)35-15-13-23(14-16-35)31(38)36-19-17-34(18-20-36)25-7-4-3-5-8-25/h6,9-12,21,23,25H,3-5,7-8,13-20,22H2,1-2H3