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

Systemtic Name: N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-isocyano-N1-methyl-N1-(pyridin-2-ylmethyl)phthalazine-1,4-diamine Openeye Name: N4-[(3-chloro-4-methoxy-phenyl)methyl]-6-isocyano-N1-methyl-N1-(2-pyridylmethyl)phthalazine-1,4-diamine CAS Name: N4-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-N1-methyl-N1-(2-pyridinylmethyl)phthalazine-1,4-diamine IUPAC Name: 4-N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-1-N-methyl-1-N-(pyridin-2-ylmethyl)phthalazine-1,4-diamine Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-methyl-(2-pyridylmethyl)amine Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN(CC1=CC=CC=N1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H21ClN6O/c1-26-17-8-9-19-20(13-17)23(28-14-16-7-10-22(32-3)21(25)12-16)29-30-24(19)31(2)15-18-6-4-5-11-27-18/h4-13H,14-15H2,2-3H3,(H,28,29)