3-[5-azanyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(3,4-dimethoxyphenyl)propanenitrile

Systemtic Name: 3-[5-azanyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(3,4-dimethoxyphenyl)propanenitrile Openeye Name: 3-(5-amino-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanenitrile CAS Name: 3-(5-amino-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanenitrile IUPAC Name: 3-(5-amino-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanenitrile Traditional Name: 3-(5-amino-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propionitrile Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3CCC(CC3C2=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3CCC(CC3C2=O)N)OC

InChI

InChI=1S/C19H23N3O4/c1-25-16-6-3-11(9-17(16)26-2)15(7-8-20)22-18(23)13-5-4-12(21)10-14(13)19(22)24/h3,6,9,12-15H,4-5,7,10,21H2,1-2H3