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

Systemtic Name: 4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-cyano-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-cyano-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-cyano-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carbonitrile Formula: C23H22N6O2 MolecularWeight: 414.45978

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-31-21-5-3-16(10-17(21)13-25)14-26-22-20-11-15(12-24)2-4-19(20)23(28-27-22)29-8-6-18(30)7-9-29/h2-5,10-11,18,30H,6-9,14H2,1H3,(H,26,27)