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

Systemtic Name: 3-(chloromethyl)-8-methoxy-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methoxy-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methoxy-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methoxy-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methoxy-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C24H29ClN4O3 MolecularWeight: 456.96506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCC(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H29ClN4O3/c1-31-20-5-6-21-22(15-20)32-17-19(16-25)29(24(21)30)12-3-2-11-28-13-7-18(8-14-28)23-26-9-4-10-27-23/h4-6,9-10,15,17-18H,2-3,7-8,11-14,16H2,1H3