5-heptyl-2-[2-[4-(5-pentylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one

Systemtic Name: 5-heptyl-2-[2-[4-(5-pentylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-heptyl-2-[2-[4-(5-pentylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-heptyl-2-[1-oxo-2-[4-(5-pentyl-2-pyrimidinyl)phenyl]ethyl]-1-cyclohexanone IUPAC Name: 5-heptyl-2-[2-[4-(5-pentylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 2-[2-[4-(5-amylpyrimidin-2-yl)phenyl]acetyl]-5-heptyl-cyclohexanone Formula: C30H42N2O2 MolecularWeight: 462.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(C(=O)C1)C(=O)CC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(C(=O)C1)C(=O)CC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

InChI

InChI=1S/C30H42N2O2/c1-3-5-7-8-10-11-23-15-18-27(28(33)19-23)29(34)20-24-13-16-26(17-14-24)30-31-21-25(22-32-30)12-9-6-4-2/h13-14,16-17,21-23,27H,3-12,15,18-20H2,1-2H3