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

Systemtic Name: 2-ethanoyl-3-phenyl-1-piperazin-1-ylcarbonyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one Openeye Name: 2-acetyl-3-phenyl-1-(piperazine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one CAS Name: 2-acetyl-1-[oxo(1-piperazinyl)methyl]-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one IUPAC Name: 2-acetyl-3-phenyl-1-(piperazine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one Traditional Name: 2-acetyl-3-phenyl-1-(piperazine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(C1C(=O)N3CCNCC3)CCCC2=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C(C2C(C1C(=O)N3CCNCC3)CCCC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3/c1-14(25)24-19(15-6-3-2-4-7-15)18-16(8-5-9-17(18)26)20(24)21(27)23-12-10-22-11-13-23/h2-4,6-7,16,18-20,22H,5,8-13H2,1H3