3-chloranyl-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one dihydrochloride

Systemtic Name: 3-chloranyl-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one dihydrochloride Openeye Name: 3-chloro-4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one dihydrochloride CAS Name: 3-chloro-4-[4-[4-(2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one dihydrochloride IUPAC Name: 3-chloro-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one dihydrochloride Traditional Name: 3-chloro-4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one dihydrochloride Formula: C23H26Cl3N3O2 MolecularWeight: 482.83044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl.Cl.Cl

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl.Cl.Cl

InChI

InChI=1S/C23H24ClN3O2.2ClH/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20;;/h1-4,7-10,12,17H,5-6,11,13-16H2;2*1H