2-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(adamantane-1-carbonyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H33N3O3/c33-26-23-5-1-3-22-4-2-6-24(25(22)23)27(34)32(26)12-9-30-7-10-31(11-8-30)28(35)29-16-19-13-20(17-29)15-21(14-19)18-29/h1-6,19-21H,7-18H2