5-(5-methylheptyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-(5-methylheptyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(5-methylheptyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(5-methylheptyl)-2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(5-methylheptyl)-2-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-(5-methylheptyl)pyrimidine Formula: C29H40N2 MolecularWeight: 416.6413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCCC(C)CC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCCC(C)CC

InChI

InChI=1S/C29H40N2/c1-4-6-12-19-29(20-17-27(18-21-29)26-15-8-7-9-16-26)28-30-22-25(23-31-28)14-11-10-13-24(3)5-2/h7-9,15-18,20-24,27H,4-6,10-14,19H2,1-3H3