N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-1-oxidanylidene-isoquinolin-2-yl]pyrazine-2-carboxamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-1-oxidanylidene-isoquinolin-2-yl]pyrazine-2-carboxamide Openeye Name: N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxo-2-isoquinolyl]pyrazine-2-carboxamide CAS Name: N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamide IUPAC Name: N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2-yl]pyrazine-2-carboxamide Traditional Name: N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-keto-2-isoquinolyl]pyrazinamide Formula: C25H21FN6O3 MolecularWeight: 472.471043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN(C(=O)C4=CC=CC=C43)NC(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN(C(=O)C4=CC=CC=C43)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C25H21FN6O3/c26-20-7-3-4-8-22(20)30-11-13-31(14-12-30)24(34)19-16-32(25(35)18-6-2-1-5-17(18)19)29-23(33)21-15-27-9-10-28-21/h1-10,15-16H,11-14H2,(H,29,33)