6,7-bis(4-chloranyl-3-methyl-phenoxy)phthalazine-1,4-diamine

Systemtic Name: 6,7-bis(4-chloranyl-3-methyl-phenoxy)phthalazine-1,4-diamine Openeye Name: 6,7-bis(4-chloro-3-methyl-phenoxy)phthalazine-1,4-diamine CAS Name: 6,7-bis(4-chloro-3-methylphenoxy)phthalazine-1,4-diamine IUPAC Name: 6,7-bis(4-chloro-3-methylphenoxy)phthalazine-1,4-diamine Traditional Name: [4-amino-6,7-bis(4-chloro-3-methyl-phenoxy)phthalazin-1-yl]amine Formula: C22H18Cl2N4O2 MolecularWeight: 441.30992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C3C(=C2)C(=NN=C3N)N)OC4=CC(=C(C=C4)Cl)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C3C(=C2)C(=NN=C3N)N)OC4=CC(=C(C=C4)Cl)C)Cl

InChI

InChI=1S/C22H18Cl2N4O2/c1-11-7-13(3-5-17(11)23)29-19-9-15-16(22(26)28-27-21(15)25)10-20(19)30-14-4-6-18(24)12(2)8-14/h3-10H,1-2H3,(H2,25,27)(H2,26,28)