8-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one

Systemtic Name: 8-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one Openeye Name: 8-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one CAS Name: 8-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-oxa-8-azaspiro[4.5]decan-2-one IUPAC Name: 8-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one Traditional Name: 8-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one Formula: C25H24ClN5O2 MolecularWeight: 461.94336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(CC4)CC(=O)OC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(CC4)CC(=O)OC5)Cl

InChI

InChI=1S/C25H24ClN5O2/c1-16-3-4-17(11-21(16)26)14-28-23-20-12-18(27-2)5-6-19(20)24(30-29-23)31-9-7-25(8-10-31)13-22(32)33-15-25/h3-6,11-12H,7-10,13-15H2,1H3,(H,28,29)