2-octyl-6-[4-(3-octylphenyl)pyrimidin-2-yl]-2,3-dihydroinden-1-one

Systemtic Name: 2-octyl-6-[4-(3-octylphenyl)pyrimidin-2-yl]-2,3-dihydroinden-1-one Openeye Name: 2-octyl-6-[4-(3-octylphenyl)pyrimidin-2-yl]indan-1-one CAS Name: 2-octyl-6-[4-(3-octylphenyl)-2-pyrimidinyl]-2,3-dihydroinden-1-one IUPAC Name: 2-octyl-6-[4-(3-octylphenyl)pyrimidin-2-yl]-2,3-dihydroinden-1-one Traditional Name: 2-octyl-6-[4-(3-octylphenyl)pyrimidin-2-yl]indan-1-one Formula: C35H46N2O MolecularWeight: 510.75254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC2=C(C1=O)C=C(C=C2)C3=NC=CC(=N3)C4=CC(=CC=C4)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1CC2=C(C1=O)C=C(C=C2)C3=NC=CC(=N3)C4=CC(=CC=C4)CCCCCCCC

InChI

InChI=1S/C35H46N2O/c1-3-5-7-9-11-13-16-27-17-15-19-29(24-27)33-22-23-36-35(37-33)31-21-20-28-25-30(34(38)32(28)26-31)18-14-12-10-8-6-4-2/h15,17,19-24,26,30H,3-14,16,18,25H2,1-2H3