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

Systemtic Name: 2-[4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-yl]oxyethanol Openeye Name: 2-[3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-1,1-dimethyl-prop-2-ynoxy]ethanol CAS Name: 2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-methylbut-3-yn-2-yl]oxyethanol IUPAC Name: 2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-2-methylbut-3-yn-2-yl]oxyethanol Traditional Name: 2-[3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-1,1-dimethyl-prop-2-ynoxy]ethanol Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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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-])OCCO

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O3/c1-24(2,32-12-11-30)10-9-21-18-7-6-17(26-3)14-19(18)23(29-28-21)27-15-16-5-8-22(31-4)20(25)13-16/h5-8,13-14,30H,11-12,15H2,1-2,4H3,(H,27,29)