N4-[(3-chloranyl-4-methyl-phenyl)methyl]-6-isocyano-N1-methyl-N1-(pyridin-2-ylmethyl)phthalazine-1,4-diamine

Systemtic Name: N4-[(3-chloranyl-4-methyl-phenyl)methyl]-6-isocyano-N1-methyl-N1-(pyridin-2-ylmethyl)phthalazine-1,4-diamine Openeye Name: N4-[(3-chloro-4-methyl-phenyl)methyl]-6-isocyano-N1-methyl-N1-(2-pyridylmethyl)phthalazine-1,4-diamine CAS Name: N4-[(3-chloro-4-methylphenyl)methyl]-6-isocyano-N1-methyl-N1-(2-pyridinylmethyl)phthalazine-1,4-diamine IUPAC Name: 4-N-[(3-chloro-4-methylphenyl)methyl]-6-isocyano-1-N-methyl-1-N-(pyridin-2-ylmethyl)phthalazine-1,4-diamine Traditional Name: [4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-methyl-(2-pyridylmethyl)amine Formula: C24H21ClN6 MolecularWeight: 428.91674

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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-])N(C)CC4=CC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N(C)CC4=CC=CC=N4)Cl

InChI

InChI=1S/C24H21ClN6/c1-16-7-8-17(12-22(16)25)14-28-23-21-13-18(26-2)9-10-20(21)24(30-29-23)31(3)15-19-6-4-5-11-27-19/h4-13H,14-15H2,1,3H3,(H,28,29)