N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-phthalazin-1-yl-piperazine-1-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-phthalazin-1-yl-piperazine-1-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phthalazin-1-yl-piperazine-1-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(1-phthalazinyl)-1-piperazinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phthalazin-1-ylpiperazine-1-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phthalazin-1-yl-piperazine-1-carboxamide Formula: C20H17FN6OS MolecularWeight: 408.451983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=CC3=CC=CC=C32)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NN=CC3=CC=CC=C32)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C20H17FN6OS/c21-14-5-6-16-17(11-14)29-19(23-16)24-20(28)27-9-7-26(8-10-27)18-15-4-2-1-3-13(15)12-22-25-18/h1-6,11-12H,7-10H2,(H,23,24,28)