2-(4-butan-2-ylphenyl)-7-[(4-fluorophenyl)methylamino]-3H-isoindol-1-one

Systemtic Name: 2-(4-butan-2-ylphenyl)-7-[(4-fluorophenyl)methylamino]-3H-isoindol-1-one Openeye Name: 7-[(4-fluorophenyl)methylamino]-2-(4-sec-butylphenyl)isoindolin-1-one CAS Name: 2-(4-butan-2-ylphenyl)-7-[(4-fluorophenyl)methylamino]-3H-isoindol-1-one IUPAC Name: 2-(4-butan-2-ylphenyl)-7-[(4-fluorophenyl)methylamino]-3H-isoindol-1-one Traditional Name: 7-[(4-fluorobenzyl)amino]-2-(4-sec-butylphenyl)isoindolin-1-one Formula: C25H25FN2O MolecularWeight: 388.477203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O/c1-3-17(2)19-9-13-22(14-10-19)28-16-20-5-4-6-23(24(20)25(28)29)27-15-18-7-11-21(26)12-8-18/h4-14,17,27H,3,15-16H2,1-2H3