1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]isonipecotic acid Formula: C22H22Cl2N4O3 MolecularWeight: 461.34108

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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(CC4)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Cl)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C22H22Cl2N4O3/c1-31-19-5-2-13(10-18(19)24)12-25-20-17-11-15(23)3-4-16(17)21(27-26-20)28-8-6-14(7-9-28)22(29)30/h2-5,10-11,14H,6-9,12H2,1H3,(H,25,26)(H,29,30)