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

Systemtic Name: 4-[(4-bromophenyl)methyl]-2-cyclohexyl-3-piperazin-1-yl-3H-isoindol-1-one Openeye Name: 4-[(4-bromophenyl)methyl]-2-cyclohexyl-3-piperazin-1-yl-isoindolin-1-one CAS Name: 4-[(4-bromophenyl)methyl]-2-cyclohexyl-3-(1-piperazinyl)-3H-isoindol-1-one IUPAC Name: 4-[(4-bromophenyl)methyl]-2-cyclohexyl-3-piperazin-1-yl-3H-isoindol-1-one Traditional Name: 4-(4-bromobenzyl)-2-cyclohexyl-3-piperazino-isoindolin-1-one Formula: C25H30BrN3O MolecularWeight: 468.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=C(C2=O)C=CC=C3CC4=CC=C(C=C4)Br)N5CCNCC5

Isomeric SMILES

C1CCC(CC1)N2C(C3=C(C2=O)C=CC=C3CC4=CC=C(C=C4)Br)N5CCNCC5

InChI

InChI=1S/C25H30BrN3O/c26-20-11-9-18(10-12-20)17-19-5-4-8-22-23(19)24(28-15-13-27-14-16-28)29(25(22)30)21-6-2-1-3-7-21/h4-5,8-12,21,24,27H,1-3,6-7,13-17H2