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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-pyridin-4-yl-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-pyridyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-pyridin-4-yl-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-pyridin-4-ylphthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-(4-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=NC=C4)Cl

Isomeric SMILES

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

InChI

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