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

Systemtic Name: 1-[3-(indazol-1-ylmethyl)-5-(phenylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Openeye Name: 1-[3-benzyl-5-(indazol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-[3-(1-indazolylmethyl)-5-(phenylmethyl)phenyl]-3-(4-methyl-2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3-benzyl-5-(indazol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3-benzyl-5-(indazol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C30H25N3O2 MolecularWeight: 459.5384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C4=CC=CC=C4C=N3)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C4=CC=CC=C4C=N3)CC5=CC=CC=C5

InChI

InChI=1S/C30H25N3O2/c1-21-11-12-31-27(13-21)30(35)18-29(34)26-16-23(14-22-7-3-2-4-8-22)15-24(17-26)20-33-28-10-6-5-9-25(28)19-32-33/h2-13,15-17,19H,14,18,20H2,1H3