1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-ol

Systemtic Name: 1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-ol Openeye Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-ol CAS Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-3-pyrrolidinol IUPAC Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]pyrrolidin-3-ol Traditional Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]pyrrolidin-3-ol Formula: C20H20Cl2N4O2 MolecularWeight: 419.3044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Cl)N4CCC(C4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Cl)N4CCC(C4)O)Cl

InChI

InChI=1S/C20H20Cl2N4O2/c1-28-18-5-2-12(8-17(18)22)10-23-19-16-9-13(21)3-4-15(16)20(25-24-19)26-7-6-14(27)11-26/h2-5,8-9,14,27H,6-7,10-11H2,1H3,(H,23,24)