4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]-2-methyl-but-3-yn-2-ol Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NN=C(C2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)Cl)O

Isomeric SMILES

CC(C)(C#CC1=NN=C(C2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)Cl)O

InChI

InChI=1S/C21H20ClN3O2/c1-21(2,26)11-10-18-15-6-4-5-7-16(15)20(25-24-18)23-13-14-8-9-19(27-3)17(22)12-14/h4-9,12,26H,13H2,1-3H3,(H,23,25)