(6E)-6-(2,3-dihydrobenzotriazol-5-ylidene)-4-(2-methylheptan-2-yl)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2,3-dihydrobenzotriazol-5-ylidene)-4-(2-methylheptan-2-yl)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(2,3-dihydrobenzotriazol-5-ylidene)-4-(1,1-dimethylhexyl)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(2,3-dihydrobenzotriazol-5-ylidene)-4-(2-methylheptan-2-yl)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2,3-dihydrobenzotriazol-5-ylidene)-4-(2-methylheptan-2-yl)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(2,3-dihydrobenzotriazol-5-ylidene)-4-(1,1-dimethylhexyl)cyclohexa-2,4-dien-1-one Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C2C=CC3=NNNC3=C2)C(=O)C=C1

Isomeric SMILES

CCCCCC(C)(C)C1=C/C(=C\2/C=CC3=NNNC3=C2)/C(=O)C=C1

InChI

InChI=1S/C20H25N3O/c1-4-5-6-11-20(2,3)15-8-10-19(24)16(13-15)14-7-9-17-18(12-14)22-23-21-17/h7-10,12-13,22-23H,4-6,11H2,1-3H3/b16-14+