Molecule ID: 617712

IUPAC Name: 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone

Description: The molecule is a 1,4-dihydropyridine substituted with acetyl groups at C-3 and C-5 and with phenyl groups at N-1 and C-4. It is a diketone and a dihydropyridine.

SMILES: CC(=O)C1=CN(c2ccccc2)C=C(C(C)=O)C1c1ccccc1

SELFIES: [C][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C21H19NO2/c1-15(23)19-13-22(18-11-7-4-8-12-18)14-20(16(2)24)21(19)17-9-5-3-6-10-17/h3-14,21H,1-2H3

Molecular Properties:
- Polar Surface Area: 37.4 Ų
- LogP: 3.2