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

Systemtic Name: N-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ylidene]hydroxylamine Openeye Name: 1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-one oxime CAS Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinone oxime IUPAC Name: N-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-ylidene]hydroxylamine Traditional Name: 1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-4-one oxime Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=NO)CC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(=NO)CC4)Cl

InChI

InChI=1S/C22H21ClN6O/c1-14-3-4-15(11-20(14)23)13-25-21-19-12-17(24-2)5-6-18(19)22(27-26-21)29-9-7-16(28-30)8-10-29/h3-6,11-12,30H,7-10,13H2,1H3,(H,25,26)