7-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol

Systemtic Name: 7-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol Openeye Name: 7-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol CAS Name: 7-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-7-azaspiro[3.4]octan-2-ol IUPAC Name: 7-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol Traditional Name: 7-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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-])N4CCC5(C4)CC(C5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(C4)CC(C5)O)Cl

InChI

InChI=1S/C24H24ClN5O2/c1-26-16-4-5-18-19(10-16)22(27-13-15-3-6-21(32-2)20(25)9-15)28-29-23(18)30-8-7-24(14-30)11-17(31)12-24/h3-6,9-10,17,31H,7-8,11-14H2,2H3,(H,27,28)