4-heptyl-3-methyl-5-phenylazanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-heptyl-3-methyl-5-phenylazanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-anilino-4-heptyl-3-methyl-1,2-benzoquinone CAS Name: 5-anilino-4-heptyl-3-methylcyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-anilino-4-heptyl-3-methylcyclohexa-3,5-diene-1,2-dione Traditional Name: 5-anilino-4-heptyl-3-methyl-o-benzoquinone Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=O)C(=O)C=C1NC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCC1=C(C(=O)C(=O)C=C1NC2=CC=CC=C2)C

InChI

InChI=1S/C20H25NO2/c1-3-4-5-6-10-13-17-15(2)20(23)19(22)14-18(17)21-16-11-8-7-9-12-16/h7-9,11-12,14,21H,3-6,10,13H2,1-2H3