6-(3-octan-4-ylphenyl)-2-octyl-2-pyrimidin-2-yl-3H-inden-1-one

Systemtic Name: 6-(3-octan-4-ylphenyl)-2-octyl-2-pyrimidin-2-yl-3H-inden-1-one Openeye Name: 2-octyl-6-[3-(1-propylpentyl)phenyl]-2-pyrimidin-2-yl-indan-1-one CAS Name: 6-(3-octan-4-ylphenyl)-2-octyl-2-(2-pyrimidinyl)-3H-inden-1-one IUPAC Name: 6-(3-octan-4-ylphenyl)-2-octyl-2-pyrimidin-2-yl-3H-inden-1-one Traditional Name: 2-octyl-6-[3-(1-propylpentyl)phenyl]-2-(2-pyrimidyl)indan-1-one Formula: C35H46N2O MolecularWeight: 510.75254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CC2=C(C1=O)C=C(C=C2)C3=CC(=CC=C3)C(CCC)CCCC)C4=NC=CC=N4

Isomeric SMILES

CCCCCCCCC1(CC2=C(C1=O)C=C(C=C2)C3=CC(=CC=C3)C(CCC)CCCC)C4=NC=CC=N4

InChI

InChI=1S/C35H46N2O/c1-4-7-9-10-11-12-21-35(34-36-22-14-23-37-34)26-31-20-19-30(25-32(31)33(35)38)29-18-13-17-28(24-29)27(15-6-3)16-8-5-2/h13-14,17-20,22-25,27H,4-12,15-16,21,26H2,1-3H3