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

Systemtic Name: N-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ylidene]hydroxylamine Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-one oxime CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinone oxime IUPAC Name: N-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-4-ylidene]hydroxylamine Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-4-one oxime Formula: C21H22ClN5O2 MolecularWeight: 411.88468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(=NO)CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(=NO)CC4)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-29-19-7-6-14(12-18(19)22)13-23-20-16-4-2-3-5-17(16)21(25-24-20)27-10-8-15(26-28)9-11-27/h2-7,12,28H,8-11,13H2,1H3,(H,23,24)