2-cyclohexyl-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3H-isoindol-1-one

Systemtic Name: 2-cyclohexyl-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3H-isoindol-1-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-2-cyclohexyl-isoindolin-1-one CAS Name: 2-cyclohexyl-7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3H-isoindol-1-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-2-cyclohexyl-3H-isoindol-1-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-2-cyclohexyl-isoindolin-1-one Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O2/c30-25(28-16-14-27(15-17-28)18-20-8-3-1-4-9-20)23-13-7-10-21-19-29(26(31)24(21)23)22-11-5-2-6-12-22/h1,3-4,7-10,13,22H,2,5-6,11-12,14-19H2