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

Systemtic Name: 4-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-butan-2-ol Openeye Name: 4-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-butan-2-ol CAS Name: 4-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-methyl-2-butanol IUPAC Name: 4-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-2-methylbutan-2-ol Traditional Name: 4-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-2-methyl-butan-2-ol Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])CCC(C)(C)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])CCC(C)(C)O)Cl

InChI

InChI=1S/C22H23ClN4O/c1-14-5-6-15(11-19(14)23)13-25-21-18-12-16(24-4)7-8-17(18)20(26-27-21)9-10-22(2,3)28/h5-8,11-12,28H,9-10,13H2,1-3H3,(H,25,27)