4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-2H-phthalazin-1-one

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-2H-phthalazin-1-one Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-2H-phthalazin-1-one CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-2H-phthalazin-1-one IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-2H-phthalazin-1-one Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-2H-phthalazin-1-one Formula: C17H13ClN4O2 MolecularWeight: 340.76372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O2/c1-19-11-4-5-12-13(8-11)16(21-22-17(12)23)20-9-10-3-6-15(24-2)14(18)7-10/h3-8H,9H2,2H3,(H,20,21)(H,22,23)