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

Systemtic Name: 1-[3,5-bis(pyrrol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Openeye Name: 1-[3,5-bis(pyrrol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-[3,5-bis(1-pyrrolylmethyl)phenyl]-3-(4-methyl-2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3,5-bis(pyrrol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3,5-bis(pyrrol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=CC=C3)CN4C=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=CC=C3)CN4C=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-19-6-7-26-23(12-19)25(30)16-24(29)22-14-20(17-27-8-2-3-9-27)13-21(15-22)18-28-10-4-5-11-28/h2-15H,16-18H2,1H3