4-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-yl]-2-cycloheptyl-isoindole-1,3-dione

Systemtic Name: 4-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-yl]-2-cycloheptyl-isoindole-1,3-dione Openeye Name: 4-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-yl]-2-cycloheptyl-isoindoline-1,3-dione CAS Name: 4-[4-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-1-piperazinyl]-2-cycloheptylisoindole-1,3-dione IUPAC Name: 4-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazin-1-yl]-2-cycloheptylisoindole-1,3-dione Traditional Name: 4-[4-[3-(1,3-benzodioxol-5-yl)propanoyl]piperazino]-2-cycloheptyl-isoindoline-1,3-quinone Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCCC(CC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H33N3O5/c33-26(13-11-20-10-12-24-25(18-20)37-19-36-24)31-16-14-30(15-17-31)23-9-5-8-22-27(23)29(35)32(28(22)34)21-6-3-1-2-4-7-21/h5,8-10,12,18,21H,1-4,6-7,11,13-17,19H2