4-[4-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-hydroxy-4-(2-pyridyl)piperidino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=N2)O)CCCCN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=N2)O)CCCCN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N3O4/c27-21-17-30-19-8-2-1-7-18(19)22(28)26(21)14-6-5-13-25-15-10-23(29,11-16-25)20-9-3-4-12-24-20/h1-4,7-9,12,29H,5-6,10-11,13-17H2