1-[4-(4-methylphenyl)-2-phenyl-1H-pyrrol-3-yl]octadecan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)-2-phenyl-1H-pyrrol-3-yl]octadecan-1-one Openeye Name: 1-[2-phenyl-4-(p-tolyl)-1H-pyrrol-3-yl]octadecan-1-one CAS Name: 1-[4-(4-methylphenyl)-2-phenyl-1H-pyrrol-3-yl]-1-octadecanone IUPAC Name: 1-[4-(4-methylphenyl)-2-phenyl-1H-pyrrol-3-yl]octadecan-1-one Traditional Name: 1-[2-phenyl-4-(p-tolyl)-1H-pyrrol-3-yl]octadecan-1-one Formula: C35H49NO MolecularWeight: 499.76966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C35H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(37)34-32(30-26-24-29(2)25-27-30)28-36-35(34)31-21-18-17-19-22-31/h17-19,21-22,24-28,36H,3-16,20,23H2,1-2H3