4-(8,9-dimethoxy-2-oxidanyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzenecarbonitrile

Systemtic Name: 4-(8,9-dimethoxy-2-oxidanyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzenecarbonitrile Openeye Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzonitrile CAS Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzonitrile IUPAC Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzonitrile Traditional Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CC=C(C=C4)C#N)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CC=C(C=C4)C#N)O)OC

InChI

InChI=1S/C22H22N2O3/c1-26-20-10-16-17-9-15(25)7-8-19(17)24-22(18(16)11-21(20)27-2)14-5-3-13(12-23)4-6-14/h3-6,10-11,15,17,19,25H,7-9H2,1-2H3