3-chloranyl-4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[3-(6-chloro-2-pyridyl)-1-piperidyl]butyl]-8-methoxy-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[3-(6-chloro-2-pyridinyl)-1-piperidinyl]butyl]-8-methoxy-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[3-(6-chloropyridin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[3-(6-chloro-2-pyridyl)piperidino]butyl]-8-methoxy-1,4-benzoxazepin-5-one Formula: C24H27Cl2N3O3 MolecularWeight: 476.39548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl

InChI

InChI=1S/C24H27Cl2N3O3/c1-31-18-9-10-19-21(14-18)32-16-23(26)29(24(19)30)13-3-2-11-28-12-5-6-17(15-28)20-7-4-8-22(25)27-20/h4,7-10,14,16-17H,2-3,5-6,11-13,15H2,1H3