2-imidazol-1-yl-4-(4-phenylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 2-imidazol-1-yl-4-(4-phenylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 2-imidazol-1-yl-4-(4-phenylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 2-(1-imidazolyl)-4-(4-phenyl-1-piperazinyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 2-imidazol-1-yl-4-(4-phenylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 2-imidazol-1-yl-4-(4-phenylpiperazino)-1-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C25H30N8O2 MolecularWeight: 474.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC(C(=O)N3CCN(CC3)C4=NC=CC=N4)N5C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC(C(=O)N3CCN(CC3)C4=NC=CC=N4)N5C=CN=C5

InChI

InChI=1S/C25H30N8O2/c34-23(30-13-11-29(12-14-30)21-5-2-1-3-6-21)19-22(33-10-9-26-20-33)24(35)31-15-17-32(18-16-31)25-27-7-4-8-28-25/h1-10,20,22H,11-19H2