2-[1-(2-chloranylbutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentyl-pyrimidine

Systemtic Name: 2-[1-(2-chloranylbutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentyl-pyrimidine Openeye Name: 2-[1-(2-chlorobutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentyl-pyrimidine CAS Name: 2-[1-(2-chlorobutoxy)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-pentylpyrimidine IUPAC Name: 2-[1-(2-chlorobutoxy)-4-phenylcyclohexa-2,5-dien-1-yl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[1-(2-chlorobutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C25H31ClN2O MolecularWeight: 410.97944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(CC)Cl

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(CC)Cl

InChI

InChI=1S/C25H31ClN2O/c1-3-5-7-10-20-17-27-24(28-18-20)25(29-19-23(26)4-2)15-13-22(14-16-25)21-11-8-6-9-12-21/h6,8-9,11-18,22-23H,3-5,7,10,19H2,1-2H3