7-cyclohexyl-2-(4-methylphenyl)-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-cyclohexyl-2-(4-methylphenyl)-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-cyclohexyl-5,6-diphenyl-2-(p-tolyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-cyclohexyl-2-(4-methylphenyl)-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-cyclohexyl-2-(4-methylphenyl)-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-cyclohexyl-5,6-diphenyl-2-(p-tolyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C31H29N3O MolecularWeight: 459.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C31H29N3O/c1-21-17-19-24(20-18-21)29-32-30-27(31(35)33-29)26(22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)34(30)25-15-9-4-10-16-25/h2-3,5-8,11-14,17-20,25H,4,9-10,15-16H2,1H3,(H,32,33,35)