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

Systemtic Name: 4-[(3-chloranyl-4-oxidanyl-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-hydroxy-phenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-hydroxyphenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-hydroxyphenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-hydroxy-benzyl)amino]-1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC(C2)O)C3=NN=C(C4=C3C=CC(=C4)C#N)NCC5=CC(=C(C=C5)O)Cl

Isomeric SMILES

C1CN(CCC12CC(C2)O)C3=NN=C(C4=C3C=CC(=C4)C#N)NCC5=CC(=C(C=C5)O)Cl

InChI

InChI=1S/C24H24ClN5O2/c25-20-10-16(2-4-21(20)32)14-27-22-19-9-15(13-26)1-3-18(19)23(29-28-22)30-7-5-24(6-8-30)11-17(31)12-24/h1-4,9-10,17,31-32H,5-8,11-12,14H2,(H,27,28)