1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Formula: C22H22BrN5O2 MolecularWeight: 468.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)Br

InChI

InChI=1S/C22H22BrN5O2/c1-24-15-4-5-17-18(12-15)21(25-13-14-3-6-20(30-2)19(23)11-14)26-27-22(17)28-9-7-16(29)8-10-28/h3-6,11-12,16,29H,7-10,13H2,2H3,(H,25,26)