4-chloranyl-6-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]-2H-phthalazin-1-one

Systemtic Name: 4-chloranyl-6-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]-2H-phthalazin-1-one Openeye Name: 4-chloro-6-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]-2H-phthalazin-1-one CAS Name: 4-chloro-6-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]-2H-phthalazin-1-one IUPAC Name: 4-chloro-6-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]-2H-phthalazin-1-one Traditional Name: 4-chloro-6-[[2-(1,2,4-triazol-1-yl)benzyl]amino]-2H-phthalazin-1-one Formula: C17H13ClN6O MolecularWeight: 352.77772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)C(=O)NN=C3Cl)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)C(=O)NN=C3Cl)N4C=NC=N4

InChI

InChI=1S/C17H13ClN6O/c18-16-14-7-12(5-6-13(14)17(25)23-22-16)20-8-11-3-1-2-4-15(11)24-10-19-9-21-24/h1-7,9-10,20H,8H2,(H,23,25)