3-(methoxymethyl)-8-methyl-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(methoxymethyl)-8-methyl-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(methoxymethyl)-8-methyl-4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(methoxymethyl)-8-methyl-4-[4-[4-(2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(methoxymethyl)-8-methyl-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(methoxymethyl)-8-methyl-4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C26H31N3O3 MolecularWeight: 433.54264

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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-20-8-9-23-25(17-20)32-19-22(18-31-2)29(26(23)30)14-6-5-13-28-15-10-21(11-16-28)24-7-3-4-12-27-24/h3-4,7-10,12,17,19H,5-6,11,13-16,18H2,1-2H3