2-cyclohexyl-6-[4-(triphenylmethyl)piperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-cyclohexyl-6-[4-(triphenylmethyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-cyclohexyl-6-(4-tritylpiperazin-1-yl)isoindolin-1-one CAS Name: 2-cyclohexyl-6-[4-(triphenylmethyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-cyclohexyl-6-(4-tritylpiperazin-1-yl)-3H-isoindol-1-one Traditional Name: 2-cyclohexyl-6-(4-tritylpiperazino)isoindolin-1-one Formula: C37H39N3O MolecularWeight: 541.72506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H39N3O/c41-36-35-27-34(22-21-29(35)28-40(36)33-19-11-4-12-20-33)38-23-25-39(26-24-38)37(30-13-5-1-6-14-30,31-15-7-2-8-16-31)32-17-9-3-10-18-32/h1-3,5-10,13-18,21-22,27,33H,4,11-12,19-20,23-26,28H2