[4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]cyclohexyl] ethanoate

Systemtic Name: [4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]cyclohexyl] ethanoate Openeye Name: [4-[6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-isoindolin-2-yl]cyclohexyl] acetate CAS Name: acetic acid [4-[5-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] ester IUPAC Name: [4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] acetate Traditional Name: acetic acid [4-[6-[4-(3,3-diphenylpropyl)piperazino]-1-keto-isoindolin-2-yl]cyclohexyl] ester Formula: C35H41N3O3 MolecularWeight: 551.71834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)OC1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H41N3O3/c1-26(39)41-32-16-14-30(15-17-32)38-25-29-12-13-31(24-34(29)35(38)40)37-22-20-36(21-23-37)19-18-33(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-13,24,30,32-33H,14-23,25H2,1H3