(6E)-6-(5-chloranyl-1,3-dihydrobenzimidazol-2-ylidene)-4-octanoyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(5-chloranyl-1,3-dihydrobenzimidazol-2-ylidene)-4-octanoyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(5-chloro-1,3-dihydrobenzimidazol-2-ylidene)-4-octanoyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(5-chloro-1,3-dihydrobenzimidazol-2-ylidene)-4-(1-oxooctyl)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(5-chloro-1,3-dihydrobenzimidazol-2-ylidene)-4-octanoylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-caprylyl-6-(5-chloro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC(=C2NC3=C(N2)C=C(C=C3)Cl)C(=O)C=C1

Isomeric SMILES

CCCCCCCC(=O)C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)Cl)/C(=O)C=C1

InChI

InChI=1S/C21H23ClN2O2/c1-2-3-4-5-6-7-19(25)14-8-11-20(26)16(12-14)21-23-17-10-9-15(22)13-18(17)24-21/h8-13,23-24H,2-7H2,1H3/b21-16+