6-(3-azanylpropyl)-8-[[3-fluoranyl-4-(piperazin-1-ylmethyl)phenyl]amino]-2H-2,7-naphthyridin-1-one

Systemtic Name: 6-(3-azanylpropyl)-8-[[3-fluoranyl-4-(piperazin-1-ylmethyl)phenyl]amino]-2H-2,7-naphthyridin-1-one Openeye Name: 6-(3-aminopropyl)-8-[3-fluoro-4-(piperazin-1-ylmethyl)anilino]-2H-2,7-naphthyridin-1-one CAS Name: 6-(3-aminopropyl)-8-[3-fluoro-4-(1-piperazinylmethyl)anilino]-2H-2,7-naphthyridin-1-one IUPAC Name: 6-(3-aminopropyl)-8-[3-fluoro-4-(piperazin-1-ylmethyl)anilino]-2H-2,7-naphthyridin-1-one Traditional Name: 6-(3-aminopropyl)-8-[3-fluoro-4-(piperazinomethyl)anilino]-2H-2,7-naphthyridin-1-one Formula: C22H27FN6O MolecularWeight: 410.487783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(C=C(C=C2)NC3=C4C(=CC(=N3)CCCN)C=CNC4=O)F

Isomeric SMILES

C1CN(CCN1)CC2=C(C=C(C=C2)NC3=C4C(=CC(=N3)CCCN)C=CNC4=O)F

InChI

InChI=1S/C22H27FN6O/c23-19-13-18(4-3-16(19)14-29-10-8-25-9-11-29)28-21-20-15(5-7-26-22(20)30)12-17(27-21)2-1-6-24/h3-5,7,12-13,25H,1-2,6,8-11,14,24H2,(H,26,30)(H,27,28)