N-[(3-iodanyl-4-methoxy-phenyl)methyl]phthalazin-1-amine

Systemtic Name: N-[(3-iodanyl-4-methoxy-phenyl)methyl]phthalazin-1-amine Openeye Name: N-[(3-iodo-4-methoxy-phenyl)methyl]phthalazin-1-amine CAS Name: N-[(3-iodo-4-methoxyphenyl)methyl]-1-phthalazinamine IUPAC Name: N-[(3-iodo-4-methoxyphenyl)methyl]phthalazin-1-amine Traditional Name: (3-iodo-4-methoxy-benzyl)-phthalazin-1-yl-amine Formula: C16H14IN3O MolecularWeight: 391.20633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=CC3=CC=CC=C32)I

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=CC3=CC=CC=C32)I

InChI

InChI=1S/C16H14IN3O/c1-21-15-7-6-11(8-14(15)17)9-18-16-13-5-3-2-4-12(13)10-19-20-16/h2-8,10H,9H2,1H3,(H,18,20)