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

Systemtic Name: 1-(4-methylpyridin-2-yl)-3-[3-(phenylmethyl)-5-(pyrazin-2-ylmethyl)phenyl]propane-1,3-dione Openeye Name: 1-[3-benzyl-5-(pyrazin-2-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-(4-methyl-2-pyridinyl)-3-[3-(phenylmethyl)-5-(2-pyrazinylmethyl)phenyl]propane-1,3-dione IUPAC Name: 1-[3-benzyl-5-(pyrazin-2-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3-benzyl-5-(pyrazin-2-ylmethyl)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=NC=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CC3=NC=CN=C3)CC4=CC=CC=C4

InChI

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