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

Systemtic Name: 1-[3-(4-methylpiperazin-1-yl)-5-(phenylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Openeye Name: 1-[3-benzyl-5-(4-methylpiperazin-1-yl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-[3-(4-methyl-1-piperazinyl)-5-(phenylmethyl)phenyl]-3-(4-methyl-2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3-benzyl-5-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3-benzyl-5-(4-methylpiperazino)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C27H29N3O2 MolecularWeight: 427.53806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)N3CCN(CC3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)N3CCN(CC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c1-20-8-9-28-25(14-20)27(32)19-26(31)23-16-22(15-21-6-4-3-5-7-21)17-24(18-23)30-12-10-29(2)11-13-30/h3-9,14,16-18H,10-13,15,19H2,1-2H3