6-[4-[3,3-bis(4-methoxyphenyl)propyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one

Systemtic Name: 6-[4-[3,3-bis(4-methoxyphenyl)propyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one Openeye Name: 6-[4-[3,3-bis(4-methoxyphenyl)propyl]piperazin-1-yl]-2-cyclohexyl-isoindolin-1-one CAS Name: 6-[4-[3,3-bis(4-methoxyphenyl)propyl]-1-piperazinyl]-2-cyclohexyl-3H-isoindol-1-one IUPAC Name: 6-[4-[3,3-bis(4-methoxyphenyl)propyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one Traditional Name: 6-[4-[3,3-bis(4-methoxyphenyl)propyl]piperazino]-2-cyclohexyl-isoindolin-1-one Formula: C35H43N3O3 MolecularWeight: 553.73422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCN2CCN(CC2)C3=CC4=C(CN(C4=O)C5CCCCC5)C=C3)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CCN2CCN(CC2)C3=CC4=C(CN(C4=O)C5CCCCC5)C=C3)C6=CC=C(C=C6)OC

InChI

InChI=1S/C35H43N3O3/c1-40-31-14-9-26(10-15-31)33(27-11-16-32(41-2)17-12-27)18-19-36-20-22-37(23-21-36)30-13-8-28-25-38(35(39)34(28)24-30)29-6-4-3-5-7-29/h8-17,24,29,33H,3-7,18-23,25H2,1-2H3