1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]butane-1,4-dione Formula: C25H32N4O4 MolecularWeight: 452.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H32N4O4/c1-17(2)25-26-18(3)15-23(27-25)28-9-11-29(12-10-28)24(31)8-6-20(30)19-5-7-21-22(16-19)33-14-4-13-32-21/h5,7,15-17H,4,6,8-14H2,1-3H3