3,8-bis(chloranyl)-4-[4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,8-bis(chloranyl)-4-[4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,8-dichloro-4-[4-[4-(2-pyridyl)-1-piperidyl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3,8-dichloro-4-[4-[4-(2-pyridinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,8-dichloro-4-[4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,8-dichloro-4-[4-[4-(2-pyridyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H25Cl2N3O2 MolecularWeight: 446.3695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C2=CC=CC=N2)CCCCN3C(=COC4=C(C3=O)C=CC(=C4)Cl)Cl

InChI

InChI=1S/C23H25Cl2N3O2/c24-18-6-7-19-21(15-18)30-16-22(25)28(23(19)29)12-4-3-11-27-13-8-17(9-14-27)20-5-1-2-10-26-20/h1-2,5-7,10,15-17H,3-4,8-9,11-14H2