4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-ol Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-])O

Isomeric SMILES

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-])O

InChI

InChI=1S/C22H19ClN4O2/c1-22(2,28)10-9-19-16-7-6-15(24-3)12-17(16)21(27-26-19)25-13-14-5-8-20(29-4)18(23)11-14/h5-8,11-12,28H,13H2,1-2,4H3,(H,25,27)