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

Systemtic Name: 2-cyclohexyl-6-[4-(diphenylmethyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-2-cyclohexyl-isoindolin-1-one CAS Name: 2-cyclohexyl-6-[4-(diphenylmethyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-2-cyclohexyl-3H-isoindol-1-one Traditional Name: 6-(4-benzhydrylpiperazino)-2-cyclohexyl-isoindolin-1-one Formula: C31H35N3O MolecularWeight: 465.6291

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O/c35-31-29-22-28(17-16-26(29)23-34(31)27-14-8-3-9-15-27)32-18-20-33(21-19-32)30(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-17,22,27,30H,3,8-9,14-15,18-21,23H2