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

Systemtic Name: 8-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one Openeye Name: 8-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one CAS Name: 8-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-oxa-8-azaspiro[4.5]decan-2-one IUPAC Name: 8-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one Traditional Name: 8-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-3-oxa-8-azaspiro[4.5]decan-2-one Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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(CC4)CC(=O)OC5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(CC4)CC(=O)OC5)Cl

InChI

InChI=1S/C25H24ClN5O3/c1-27-17-4-5-18-19(12-17)23(28-14-16-3-6-21(33-2)20(26)11-16)29-30-24(18)31-9-7-25(8-10-31)13-22(32)34-15-25/h3-6,11-12H,7-10,13-15H2,2H3,(H,28,29)