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

Systemtic Name: 2-[4-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-yl]oxyethanol Openeye Name: 2-[3-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-1,1-dimethyl-prop-2-ynoxy]ethanol CAS Name: 2-[4-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-methylbut-3-yn-2-yl]oxyethanol IUPAC Name: 2-[4-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-2-methylbut-3-yn-2-yl]oxyethanol Traditional Name: 2-[3-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-1,1-dimethyl-prop-2-ynoxy]ethanol Formula: C24H23ClN4O2 MolecularWeight: 434.91802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CC(C)(C)OCCO)[N+]#[C-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CC(C)(C)OCCO)[N+]#[C-])Cl

InChI

InChI=1S/C24H23ClN4O2/c1-16-5-6-17(13-21(16)25)15-27-23-20-14-18(26-4)7-8-19(20)22(28-29-23)9-10-24(2,3)31-12-11-30/h5-8,13-14,30H,11-12,15H2,1-3H3,(H,27,29)