4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-bromo-4-methoxy-benzyl)amino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Formula: C25H26BrN5O2 MolecularWeight: 508.41024

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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)N4CCC5(CC4)CC(C5)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CC4)CC(C5)O)Br

InChI

InChI=1S/C25H26BrN5O2/c1-33-22-5-3-17(11-21(22)26)15-28-23-20-10-16(14-27)2-4-19(20)24(30-29-23)31-8-6-25(7-9-31)12-18(32)13-25/h2-5,10-11,18,32H,6-9,12-13,15H2,1H3,(H,28,29)