4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: (4-chloro-7-isocyano-phthalazin-1-yl)-(3-chloro-4-methoxy-benzyl)amine Formula: C17H12Cl2N4O MolecularWeight: 359.20938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])Cl)Cl

InChI

InChI=1S/C17H12Cl2N4O/c1-20-11-4-5-12-13(8-11)17(23-22-16(12)19)21-9-10-3-6-15(24-2)14(18)7-10/h3-8H,9H2,2H3,(H,21,23)