7-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol

Systemtic Name: 7-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Openeye Name: 7-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol CAS Name: 7-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]-1-phthalazinyl]-7-azaspiro[3.5]nonan-2-ol IUPAC Name: 7-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Traditional Name: 7-[6-isocyano-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(CC4)CC(C5)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(CC4)CC(C5)O)OC

InChI

InChI=1S/C26H29N5O2/c1-17-12-18(4-7-23(17)33-3)16-28-24-22-13-19(27-2)5-6-21(22)25(30-29-24)31-10-8-26(9-11-31)14-20(32)15-26/h4-7,12-13,20,32H,8-11,14-16H2,1,3H3,(H,28,29)