4-[(3-iodanyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-iodanyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 1-(4-hydroxy-1-piperidyl)-4-[(3-iodo-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 1-(4-hydroxy-1-piperidinyl)-4-[(3-iodo-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-(4-hydroxypiperidin-1-yl)-4-[(3-iodo-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 1-(4-hydroxypiperidino)-4-[(3-iodo-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile Formula: C22H22IN5O2 MolecularWeight: 515.34685

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)C#N)N4CCC(CC4)O)I

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)I

InChI

InChI=1S/C22H22IN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26)