N-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ylidene]hydroxylamine

Systemtic Name: N-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ylidene]hydroxylamine Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-one oxime CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinone oxime IUPAC Name: N-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-ylidene]hydroxylamine Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-4-one oxime Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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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(=NO)CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=NO)CC4)Cl

InChI

InChI=1S/C22H21ClN6O2/c1-24-16-4-5-17-18(12-16)21(25-13-14-3-6-20(31-2)19(23)11-14)26-27-22(17)29-9-7-15(28-30)8-10-29/h3-6,11-12,30H,7-10,13H2,2H3,(H,25,26)