ethyl 9-[7-(4-butylpiperazin-1-yl)-2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl]fluorene-9-carboxylate

Systemtic Name: ethyl 9-[7-(4-butylpiperazin-1-yl)-2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl]fluorene-9-carboxylate Openeye Name: ethyl 9-[7-(4-butylpiperazin-1-yl)-2-cyclohexyl-3-oxo-isoindolin-5-yl]fluorene-9-carboxylate CAS Name: 9-[7-(4-butyl-1-piperazinyl)-2-cyclohexyl-3-oxo-1H-isoindol-5-yl]-9-fluorenecarboxylic acid ethyl ester IUPAC Name: ethyl 9-[7-(4-butylpiperazin-1-yl)-2-cyclohexyl-3-oxo-1H-isoindol-5-yl]fluorene-9-carboxylate Traditional Name: 9-[7-(4-butylpiperazino)-2-cyclohexyl-3-keto-isoindolin-5-yl]fluorene-9-carboxylic acid ethyl ester Formula: C38H45N3O3 MolecularWeight: 591.7822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C3CN(C(=O)C3=CC(=C2)C4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)OCC)C7CCCCC7

Isomeric SMILES

CCCCN1CCN(CC1)C2=C3CN(C(=O)C3=CC(=C2)C4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)OCC)C7CCCCC7

InChI

InChI=1S/C38H45N3O3/c1-3-5-19-39-20-22-40(23-21-39)35-25-27(24-31-32(35)26-41(36(31)42)28-13-7-6-8-14-28)38(37(43)44-4-2)33-17-11-9-15-29(33)30-16-10-12-18-34(30)38/h9-12,15-18,24-25,28H,3-8,13-14,19-23,26H2,1-2H3