2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzenecarbonitrile

Systemtic Name: 2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzenecarbonitrile Openeye Name: 2-[[2-(2,3,4-trimethoxyphenyl)isoindolin-5-yl]amino]benzonitrile CAS Name: 2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzonitrile IUPAC Name: 2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzonitrile Traditional Name: 2-[[2-(2,3,4-trimethoxyphenyl)isoindolin-5-yl]amino]benzonitrile Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)N2CC3=C(C2)C=C(C=C3)NC4=CC=CC=C4C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)N2CC3=C(C2)C=C(C=C3)NC4=CC=CC=C4C#N)OC)OC

InChI

InChI=1S/C24H23N3O3/c1-28-22-11-10-21(23(29-2)24(22)30-3)27-14-17-8-9-19(12-18(17)15-27)26-20-7-5-4-6-16(20)13-25/h4-12,26H,14-15H2,1-3H3