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

Systemtic Name: 2-cyclohexyl-6-[4-(4-hydroxyphenyl)-2-methyl-piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-cyclohexyl-6-[4-(4-hydroxyphenyl)-2-methyl-piperazin-1-yl]isoindolin-1-one CAS Name: 2-cyclohexyl-6-[4-(4-hydroxyphenyl)-2-methyl-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-cyclohexyl-6-[4-(4-hydroxyphenyl)-2-methylpiperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-cyclohexyl-6-[4-(4-hydroxyphenyl)-2-methyl-piperazino]isoindolin-1-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC3=C(CN(C3=O)C4CCCCC4)C=C2)C5=CC=C(C=C5)O

Isomeric SMILES

CC1CN(CCN1C2=CC3=C(CN(C3=O)C4CCCCC4)C=C2)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H31N3O2/c1-18-16-26(20-9-11-23(29)12-10-20)13-14-27(18)22-8-7-19-17-28(25(30)24(19)15-22)21-5-3-2-4-6-21/h7-12,15,18,21,29H,2-6,13-14,16-17H2,1H3