6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-hex-4-ynenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-6-(1,3-dioxoisoindolin-2-yl)-2-isopropyl-hex-4-ynenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-6-(1,3-dioxo-2-isoindolyl)-2-propan-2-yl-4-hexynenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-6-(1,3-dioxoisoindol-2-yl)-2-propan-2-ylhex-4-ynenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-6-phthalimido-hex-4-ynenitrile Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CCN1C(=O)C2=CC=CC=C2C1=O)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CC#CCN1C(=O)C2=CC=CC=C2C1=O)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H24N2O4/c1-17(2)25(16-26,18-11-12-21(30-3)22(15-18)31-4)13-7-8-14-27-23(28)19-9-5-6-10-20(19)24(27)29/h5-6,9-12,15,17H,13-14H2,1-4H3