3-(chloromethyl)-7-methyl-4-[4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(chloromethyl)-7-methyl-4-[4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-7-methyl-4-[4-[4-(2-pyridyl)-1-piperidyl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-7-methyl-4-[4-[4-(2-pyridinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-7-methyl-4-[4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-7-methyl-4-[4-[4-(2-pyridyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C25H30ClN3O2 MolecularWeight: 439.9776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(CC3)C4=CC=CC=N4)CCl

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCC(CC3)C4=CC=CC=N4)CCl

InChI

InChI=1S/C25H30ClN3O2/c1-19-7-8-24-22(16-19)25(30)29(21(17-26)18-31-24)13-5-4-12-28-14-9-20(10-15-28)23-6-2-3-11-27-23/h2-3,6-8,11,16,18,20H,4-5,9-10,12-15,17H2,1H3