[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methanone

Systemtic Name: [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methanone Openeye Name: (2,4-dihydroxy-5-isopropyl-phenyl)-(5-piperazin-1-ylisoindolin-2-yl)methanone CAS Name: (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(1-piperazinyl)-1,3-dihydroisoindol-2-yl]methanone IUPAC Name: (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methanone Traditional Name: (2,4-dihydroxy-5-isopropyl-phenyl)-(5-piperazinoisoindolin-2-yl)methanone Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)N4CCNCC4)O)O

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)N4CCNCC4)O)O

InChI

InChI=1S/C22H27N3O3/c1-14(2)18-10-19(21(27)11-20(18)26)22(28)25-12-15-3-4-17(9-16(15)13-25)24-7-5-23-6-8-24/h3-4,9-11,14,23,26-27H,5-8,12-13H2,1-2H3