1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-(4-methyl-1,3-thiazol-2-yl)phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-(4-methyl-1,3-thiazol-2-yl)phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-(4-methylthiazol-2-yl)phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-(4-methyl-2-thiazolyl)-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-(4-methyl-1,3-thiazol-2-yl)phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-(4-methylthiazol-2-yl)phthalazin-1-yl]piperidin-4-ol Formula: C25H26BrN5O2S MolecularWeight: 540.47524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CC3=C(C=C2)C(=NN=C3NCC4=CC(=C(C=C4)OC)Br)N5CCC(CC5)O

Isomeric SMILES

CC1=CSC(=N1)C2=CC3=C(C=C2)C(=NN=C3NCC4=CC(=C(C=C4)OC)Br)N5CCC(CC5)O

InChI

InChI=1S/C25H26BrN5O2S/c1-15-14-34-25(28-15)17-4-5-19-20(12-17)23(27-13-16-3-6-22(33-2)21(26)11-16)29-30-24(19)31-9-7-18(32)8-10-31/h3-6,11-12,14,18,32H,7-10,13H2,1-2H3,(H,27,29)