4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanyl-4-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanyl-4-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(2-hydroxy-4-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-hydroxy-4-oxa-8-azaspiro[4.5]decan-8-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-hydroxy-4-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-hydroxy-4-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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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(CO5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CC4)CC(CO5)O)Cl

InChI

InChI=1S/C25H26ClN5O3/c1-33-22-5-3-17(11-21(22)26)14-28-23-20-10-16(13-27)2-4-19(20)24(30-29-23)31-8-6-25(7-9-31)12-18(32)15-34-25/h2-5,10-11,18,32H,6-9,12,14-15H2,1H3,(H,28,29)