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

Systemtic Name: 4-chloranyl-2-cyclohexyl-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 4-chloro-2-cyclohexyl-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]isoindolin-1-one CAS Name: 4-chloro-2-cyclohexyl-6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 4-chloro-2-cyclohexyl-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 4-chloro-2-cyclohexyl-6-[4-(3,3-diphenylpropyl)piperazino]isoindolin-1-one Formula: C33H38ClN3O MolecularWeight: 528.12732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C=C(C=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C=C(C=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C33H38ClN3O/c34-32-23-28(22-30-31(32)24-37(33(30)38)27-14-8-3-9-15-27)36-20-18-35(19-21-36)17-16-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-2,4-7,10-13,22-23,27,29H,3,8-9,14-21,24H2