4-[[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-methyl-amino]butanoic acid Openeye Name: 4-[[6-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-methyl-amino]butanoic acid CAS Name: 4-[[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-methylamino]butanoic acid IUPAC Name: 4-[[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]-methylamino]butanoic acid Traditional Name: 4-[[6-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]-methyl-amino]butyric acid Formula: C21H22Cl2N4O3 MolecularWeight: 449.33038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=NN=C(C2=C1C=CC(=C2)Cl)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CCCC(=O)O)C1=NN=C(C2=C1C=CC(=C2)Cl)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H22Cl2N4O3/c1-27(9-3-4-19(28)29)21-15-7-6-14(22)11-16(15)20(25-26-21)24-12-13-5-8-18(30-2)17(23)10-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,24,25)(H,28,29)