1-[2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]ethynyl]cyclopentan-1-ol

Systemtic Name: 1-[2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]ethynyl]cyclopentanol Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C#CC4(CCCC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C#CC4(CCCC4)O)Cl

InChI

InChI=1S/C23H22ClN3O2/c1-29-21-9-8-16(14-19(21)24)15-25-22-18-7-3-2-6-17(18)20(26-27-22)10-13-23(28)11-4-5-12-23/h2-3,6-9,14,28H,4-5,11-12,15H2,1H3,(H,25,27)