1-[4-(imidazol-1-ylmethyl)pyridin-2-yl]-3-[3-(phenylmethyl)phenyl]propane-1,3-dione

Systemtic Name: 1-[4-(imidazol-1-ylmethyl)pyridin-2-yl]-3-[3-(phenylmethyl)phenyl]propane-1,3-dione Openeye Name: 1-(3-benzylphenyl)-3-[4-(imidazol-1-ylmethyl)-2-pyridyl]propane-1,3-dione CAS Name: 1-[4-(1-imidazolylmethyl)-2-pyridinyl]-3-[3-(phenylmethyl)phenyl]propane-1,3-dione IUPAC Name: 1-(3-benzylphenyl)-3-[4-(imidazol-1-ylmethyl)pyridin-2-yl]propane-1,3-dione Traditional Name: 1-(3-benzylphenyl)-3-[4-(imidazol-1-ylmethyl)-2-pyridyl]propane-1,3-dione Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3=NC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3=NC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C25H21N3O2/c29-24(22-8-4-7-20(14-22)13-19-5-2-1-3-6-19)16-25(30)23-15-21(9-10-27-23)17-28-12-11-26-18-28/h1-12,14-15,18H,13,16-17H2