4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-(3-oxidanyl-8-azabicyclo[3.2.1]octan-8-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-(3-oxidanyl-8-azabicyclo[3.2.1]octan-8-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-cyano-4-methoxyphenyl)methylamino]-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-cyano-4-methoxyphenyl)methylamino]-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-cyano-4-methoxy-benzyl)amino]-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phthalazine-6-carbonitrile Formula: C25H24N6O2 MolecularWeight: 440.49706

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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)N4C5CCC4CC(C5)O)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4C5CCC4CC(C5)O)C#N

InChI

InChI=1S/C25H24N6O2/c1-33-23-7-3-16(8-17(23)13-27)14-28-24-22-9-15(12-26)2-6-21(22)25(30-29-24)31-18-4-5-19(31)11-20(32)10-18/h2-3,6-9,18-20,32H,4-5,10-11,14H2,1H3,(H,28,29)