4-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]propylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]propylamino]-2H-phthalazin-1-one Openeye Name: 4-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]propylamino]-2H-phthalazin-1-one CAS Name: 4-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]propylamino]-2H-phthalazin-1-one IUPAC Name: 4-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]propylamino]-2H-phthalazin-1-one Traditional Name: 4-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]propylamino]-2H-phthalazin-1-one Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)CNCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)CNCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20N6O2/c27-20-16-10-5-4-9-15(16)19(24-25-20)22-12-6-11-21-13-17-23-18(26-28-17)14-7-2-1-3-8-14/h1-5,7-10,21H,6,11-13H2,(H,22,24)(H,25,27)