3-(methoxymethyl)-8-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(methoxymethyl)-8-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-8-methyl-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-8-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-8-methyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-8-methyl-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C25H32N4O3 MolecularWeight: 436.54658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)COC)CCCCN3CCC(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)COC)CCCCN3CCC(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H32N4O3/c1-19-6-7-22-23(16-19)32-18-21(17-31-2)29(25(22)30)13-4-3-12-28-14-8-20(9-15-28)24-26-10-5-11-27-24/h5-7,10-11,16,18,20H,3-4,8-9,12-15,17H2,1-2H3