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

Systemtic Name: 1-[3-[(4-methylpiperazin-1-yl)methyl]-5-(phenylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Openeye Name: 1-[3-benzyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-[3-[(4-methyl-1-piperazinyl)methyl]-5-(phenylmethyl)phenyl]-3-(4-methyl-2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3-benzyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3-benzyl-5-[(4-methylpiperazino)methyl]phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3CCN(CC3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3CCN(CC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c1-21-8-9-29-26(14-21)28(33)19-27(32)25-17-23(15-22-6-4-3-5-7-22)16-24(18-25)20-31-12-10-30(2)11-13-31/h3-9,14,16-18H,10-13,15,19-20H2,1-2H3