2-[1-(2-chloranylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptyl-pyrimidine

Systemtic Name: 2-[1-(2-chloranylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptyl-pyrimidine Openeye Name: 2-[1-(2-chlorobutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptyl-pyrimidine CAS Name: 2-[1-(2-chlorobutyl)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-heptylpyrimidine IUPAC Name: 2-[1-(2-chlorobutyl)-4-phenylcyclohexa-2,5-dien-1-yl]-5-heptylpyrimidine Traditional Name: 2-[1-(2-chlorobutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptyl-pyrimidine Formula: C27H35ClN2 MolecularWeight: 423.0332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClN2/c1-3-5-6-7-9-12-22-20-29-26(30-21-22)27(19-25(28)4-2)17-15-24(16-18-27)23-13-10-8-11-14-23/h8,10-11,13-18,20-21,24-25H,3-7,9,12,19H2,1-2H3