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

Systemtic Name: 5-heptyl-2-(1-nonan-2-yl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-heptyl-2-[1-(1-methyloctyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine CAS Name: 5-heptyl-2-(1-nonan-2-yl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-heptyl-2-(1-nonan-2-yl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-heptyl-2-[1-(1-methyloctyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C32H46N2 MolecularWeight: 458.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)C(C)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)C(C)CCCCCCC

InChI

InChI=1S/C32H46N2/c1-4-6-8-10-13-17-27(3)32(23-21-30(22-24-32)29-19-15-12-16-20-29)31-33-25-28(26-34-31)18-14-11-9-7-5-2/h12,15-16,19-27,30H,4-11,13-14,17-18H2,1-3H3