3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]isocarbostyril Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)C(=O)C4=CC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)C(=O)C4=CC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H22FN3O2S/c26-19-6-3-5-18(14-19)23-9-8-20(32-23)16-28-10-12-29(13-11-28)25(31)22-15-17-4-1-2-7-21(17)24(30)27-22/h1-9,14-15H,10-13,16H2,(H,27,30)