6-octan-4-yl-2-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-octan-4-yl-2-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one Openeye Name: 2-(5-octylpyrimidin-2-yl)-6-(1-propylpentyl)cyclohexa-2,4-dien-1-one CAS Name: 6-octan-4-yl-2-(5-octyl-2-pyrimidinyl)-1-cyclohexa-2,4-dienone IUPAC Name: 6-octan-4-yl-2-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one Traditional Name: 2-(5-octylpyrimidin-2-yl)-6-(1-propylpentyl)cyclohexa-2,4-dien-1-one Formula: C26H40N2O MolecularWeight: 396.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC(C2=O)C(CCC)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC(C2=O)C(CCC)CCCC

InChI

InChI=1S/C26H40N2O/c1-4-7-9-10-11-12-15-21-19-27-26(28-20-21)24-18-13-17-23(25(24)29)22(14-6-3)16-8-5-2/h13,17-20,22-23H,4-12,14-16H2,1-3H3