2-(1,3-dihydrobenzimidazol-2-ylidene)-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-quinone Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)C2

InChI

InChI=1S/C22H22N2O5/c1-27-18-10-13(11-19(28-2)21(18)29-3)12-8-16(25)20(17(26)9-12)22-23-14-6-4-5-7-15(14)24-22/h4-7,10-12,23-24H,8-9H2,1-3H3