9-(3-butyl-2-cyclohexyl-1-oxidanylidene-3-piperazin-1-yl-isoindol-4-yl)fluorene-9-carboxylic acid

Systemtic Name: 9-(3-butyl-2-cyclohexyl-1-oxidanylidene-3-piperazin-1-yl-isoindol-4-yl)fluorene-9-carboxylic acid Openeye Name: 9-(3-butyl-2-cyclohexyl-1-oxo-3-piperazin-1-yl-isoindolin-4-yl)fluorene-9-carboxylic acid CAS Name: 9-[3-butyl-2-cyclohexyl-1-oxo-3-(1-piperazinyl)-4-isoindolyl]-9-fluorenecarboxylic acid IUPAC Name: 9-(3-butyl-2-cyclohexyl-1-oxo-3-piperazin-1-ylisoindol-4-yl)fluorene-9-carboxylic acid Traditional Name: 9-(3-butyl-2-cyclohexyl-1-keto-3-piperazino-isoindolin-4-yl)fluorene-9-carboxylic acid Formula: C36H41N3O3 MolecularWeight: 563.72904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=CC=C2C3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)O)C(=O)N1C6CCCCC6)N7CCNCC7

Isomeric SMILES

CCCCC1(C2=C(C=CC=C2C3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)O)C(=O)N1C6CCCCC6)N7CCNCC7

InChI

InChI=1S/C36H41N3O3/c1-2-3-20-35(38-23-21-37-22-24-38)32-28(33(40)39(35)25-12-5-4-6-13-25)16-11-19-31(32)36(34(41)42)29-17-9-7-14-26(29)27-15-8-10-18-30(27)36/h7-11,14-19,25,37H,2-6,12-13,20-24H2,1H3,(H,41,42)