3-chloranyl-4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[4-[3-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[3-(6-chloro-2-pyridyl)-1-piperidyl]butyl]-7-methyl-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[3-(6-chloro-2-pyridinyl)-1-piperidinyl]butyl]-7-methyl-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[3-(6-chloropyridin-2-yl)piperidin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[3-(6-chloro-2-pyridyl)piperidino]butyl]-7-methyl-1,4-benzoxazepin-5-one Formula: C24H27Cl2N3O2 MolecularWeight: 460.39608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCCC(C3)C4=NC(=CC=C4)Cl)Cl

InChI

InChI=1S/C24H27Cl2N3O2/c1-17-9-10-21-19(14-17)24(30)29(23(26)16-31-21)13-3-2-11-28-12-5-6-18(15-28)20-7-4-8-22(25)27-20/h4,7-10,14,16,18H,2-3,5-6,11-13,15H2,1H3