2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-octyl-pyrimidine

Systemtic Name: 2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-octyl-pyrimidine Openeye Name: 2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-octyl-pyrimidine CAS Name: 2-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-octylpyrimidine IUPAC Name: 2-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)-5-octylpyrimidine Traditional Name: 2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-octyl-pyrimidine Formula: C31H44N2 MolecularWeight: 444.69446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCC

InChI

InChI=1S/C31H44N2/c1-3-5-7-9-10-13-17-27-25-32-30(33-26-27)31(22-16-11-8-6-4-2)23-20-29(21-24-31)28-18-14-12-15-19-28/h12,14-15,18-21,23-26,29H,3-11,13,16-17,22H2,1-2H3