3-phenyl-2-(phenylcarbonyl)-1-piperazin-1-ylcarbonyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one

Systemtic Name: 3-phenyl-2-(phenylcarbonyl)-1-piperazin-1-ylcarbonyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one Openeye Name: 2-benzoyl-3-phenyl-1-(piperazine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one CAS Name: 2-benzoyl-1-[oxo(1-piperazinyl)methyl]-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one IUPAC Name: 2-benzoyl-3-phenyl-1-(piperazine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one Traditional Name: 2-benzoyl-3-phenyl-1-(piperazine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C26H29N3O3/c30-21-13-7-12-20-22(21)23(18-8-3-1-4-9-18)29(25(31)19-10-5-2-6-11-19)24(20)26(32)28-16-14-27-15-17-28/h1-6,8-11,20,22-24,27H,7,12-17H2