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

Systemtic Name: 3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol Openeye Name: 3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol CAS Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-propyn-1-ol IUPAC Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]prop-2-yn-1-ol Traditional Name: 3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]prop-2-yn-1-ol Formula: C20H15ClN4O2 MolecularWeight: 378.8117

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CCO)[N+]#[C-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CCO)[N+]#[C-])Cl

InChI

InChI=1S/C20H15ClN4O2/c1-22-14-6-7-15-16(11-14)20(25-24-18(15)4-3-9-26)23-12-13-5-8-19(27-2)17(21)10-13/h5-8,10-11,26H,9,12H2,2H3,(H,23,25)