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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-2-(3-phosphanyloxypropyl)phthalazin-1-one Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-2-(3-phosphanyloxypropyl)phthalazin-1-one CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-2-(3-phosphinooxypropyl)-1-phthalazinone IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-2-(3-phosphanyloxypropyl)phthalazin-1-one Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-2-(3-phosphinooxypropyl)phthalazin-1-one Formula: C20H20ClN4O3P MolecularWeight: 430.824561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN4O3P/c1-22-14-5-6-15-16(11-14)19(24-25(20(15)26)8-3-9-28-29)23-12-13-4-7-18(27-2)17(21)10-13/h4-7,10-11H,3,8-9,12,29H2,2H3,(H,23,24)