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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(2-oxidanylidene-3-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(2-oxo-3-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-oxo-3-oxa-8-azaspiro[4.5]decan-8-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-oxo-3-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-keto-3-oxa-8-azaspiro[4.5]decan-8-yl)phthalazine-6-carbonitrile Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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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(=O)OC5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CC4)CC(=O)OC5)Cl

InChI

InChI=1S/C25H24ClN5O3/c1-33-21-5-3-17(11-20(21)26)14-28-23-19-10-16(13-27)2-4-18(19)24(30-29-23)31-8-6-25(7-9-31)12-22(32)34-15-25/h2-5,10-11H,6-9,12,14-15H2,1H3,(H,28,29)