1-[3,5-bis(pyridin-2-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione

Systemtic Name: 1-[3,5-bis(pyridin-2-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Openeye Name: 1-[3,5-bis(2-pyridylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-[3,5-bis(2-pyridinylmethyl)phenyl]-3-(4-methyl-2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3,5-bis(pyridin-2-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3,5-bis(2-pyridylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CC3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CC3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C27H23N3O2/c1-19-8-11-30-25(12-19)27(32)18-26(31)22-14-20(16-23-6-2-4-9-28-23)13-21(15-22)17-24-7-3-5-10-29-24/h2-15H,16-18H2,1H3