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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-pyridin-2-yl-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-(2-pyridyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(2-pyridinyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-pyridin-2-ylphthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-(2-pyridyl)phthalazin-1-yl]amine Formula: C22H16ClN5O MolecularWeight: 401.84834

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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-])C4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=CC=CC=N4)Cl

InChI

InChI=1S/C22H16ClN5O/c1-24-15-7-8-16-17(12-15)22(28-27-21(16)19-5-3-4-10-25-19)26-13-14-6-9-20(29-2)18(23)11-14/h3-12H,13H2,2H3,(H,26,28)