4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-(1,2,3-triazol-1-yl)phthalazin-1-amine

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-(1,2,3-triazol-1-yl)phthalazin-1-amine Openeye Name: 4-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-7-(triazol-1-yl)phthalazin-1-amine CAS Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-7-(1-triazolyl)-1-phthalazinamine IUPAC Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-7-(triazol-1-yl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[4-chloro-7-(triazol-1-yl)phthalazin-1-yl]amine Formula: C18H14Cl2N6O MolecularWeight: 401.24936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CN=N4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CN=N4)Cl)Cl

InChI

InChI=1S/C18H14Cl2N6O/c1-27-16-5-2-11(8-15(16)19)10-21-18-14-9-12(26-7-6-22-25-26)3-4-13(14)17(20)23-24-18/h2-9H,10H2,1H3,(H,21,24)