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

Systemtic Name: 2-cyclohexyl-3-[4-(phenylmethyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-2-cyclohexyl-isoindolin-1-one CAS Name: 2-cyclohexyl-3-[4-(phenylmethyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 3-(4-benzylpiperazin-1-yl)-2-cyclohexyl-3H-isoindol-1-one Traditional Name: 3-(4-benzylpiperazino)-2-cyclohexyl-isoindolin-1-one Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H31N3O/c29-25-23-14-8-7-13-22(23)24(28(25)21-11-5-2-6-12-21)27-17-15-26(16-18-27)19-20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2