3-chloranyl-4-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[3-[4-(2-pyridyl)-1-piperidyl]propyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[3-[4-(2-pyridinyl)-1-piperidinyl]propyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[3-[4-(2-pyridyl)piperidino]propyl]-1,4-benzoxazepin-5-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=N2)CCCN3C(=COC4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CCC1C2=CC=CC=N2)CCCN3C(=COC4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H24ClN3O2/c23-21-16-28-20-8-2-1-6-18(20)22(27)26(21)13-5-12-25-14-9-17(10-15-25)19-7-3-4-11-24-19/h1-4,6-8,11,16-17H,5,9-10,12-15H2