4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.4]octan-7-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.4]octan-7-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.4]octan-7-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.4]octan-7-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-hydroxy-7-azaspiro[3.4]octan-7-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-hydroxy-7-azaspiro[3.4]octan-7-yl)phthalazine-6-carbonitrile Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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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(C4)CC(C5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(C4)CC(C5)O)Cl

InChI

InChI=1S/C24H24ClN5O2/c1-32-21-5-3-16(9-20(21)25)13-27-22-19-8-15(12-26)2-4-18(19)23(29-28-22)30-7-6-24(14-30)10-17(31)11-24/h2-5,8-9,17,31H,6-7,10-11,13-14H2,1H3,(H,27,28)