1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-oxidanyl-piperidine-4-carboxamide

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-oxidanyl-piperidine-4-carboxamide Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-hydroxy-piperidine-4-carboxamide CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-hydroxy-4-piperidinecarboxamide IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-hydroxypiperidine-4-carboxamide Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-hydroxy-isonipecotamide Formula: C23H23ClN6O3 MolecularWeight: 466.92012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O3/c1-26-15-4-5-16-17(12-15)20(27-13-14-3-6-19(33-2)18(24)11-14)28-29-21(16)30-9-7-23(32,8-10-30)22(25)31/h3-6,11-12,32H,7-10,13H2,2H3,(H2,25,31)(H,27,28)