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

Systemtic Name: N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-isocyano-N1-methyl-N1-(2-pyridin-2-ylethyl)phthalazine-1,4-diamine Openeye Name: N4-[(3-chloro-4-methoxy-phenyl)methyl]-6-isocyano-N1-methyl-N1-[2-(2-pyridyl)ethyl]phthalazine-1,4-diamine CAS Name: N4-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-N1-methyl-N1-[2-(2-pyridinyl)ethyl]phthalazine-1,4-diamine IUPAC Name: 4-N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-1-N-methyl-1-N-(2-pyridin-2-ylethyl)phthalazine-1,4-diamine Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-methyl-[2-(2-pyridyl)ethyl]amine Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H23ClN6O/c1-27-19-8-9-20-21(15-19)24(29-16-17-7-10-23(33-3)22(26)14-17)30-31-25(20)32(2)13-11-18-6-4-5-12-28-18/h4-10,12,14-15H,11,13,16H2,2-3H3,(H,29,30)