2-cycloheptyl-4-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cycloheptyl-4-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cycloheptyl-4-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cycloheptyl-4-[4-[[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cycloheptyl-4-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cycloheptyl-4-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperazino]isoindoline-1,3-quinone Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCCCCC6)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCCCCC6)C

InChI

InChI=1S/C32H37N5O3/c1-22-20-23(2)36(33-22)21-24-12-14-25(15-13-24)30(38)35-18-16-34(17-19-35)28-11-7-10-27-29(28)32(40)37(31(27)39)26-8-5-3-4-6-9-26/h7,10-15,20,26H,3-6,8-9,16-19,21H2,1-2H3