(6Z)-6-[7-(2-methylheptan-2-yl)-2,3-dihydrobenzotriazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[7-(2-methylheptan-2-yl)-2,3-dihydrobenzotriazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[7-(1,1-dimethylhexyl)-2,3-dihydrobenzotriazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[7-(2-methylheptan-2-yl)-2,3-dihydrobenzotriazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[7-(2-methylheptan-2-yl)-2,3-dihydrobenzotriazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[7-(1,1-dimethylhexyl)-2,3-dihydrobenzotriazol-5-ylidene]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=CC=CC2=O)C=C3C1=NNN3

Isomeric SMILES

CCCCCC(C)(C)C1=C/C(=C/2\C=CC=CC2=O)/C=C3C1=NNN3

InChI

InChI=1S/C20H25N3O/c1-4-5-8-11-20(2,3)16-12-14(13-17-19(16)22-23-21-17)15-9-6-7-10-18(15)24/h6-7,9-10,12-13,21,23H,4-5,8,11H2,1-3H3/b15-14-