3-[[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one

Systemtic Name: 3-[[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one Formula: C28H29FN4O2 MolecularWeight: 472.553863

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H29FN4O2/c1-2-14-33-26(22-10-3-4-11-23(22)28(33)35)30-21-9-7-8-20(19-21)27(34)32-17-15-31(16-18-32)25-13-6-5-12-24(25)29/h3-13,19,26,30H,2,14-18H2,1H3