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

Systemtic Name: 4-[4-[4-(6-chloranylpyridin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-chloro-2-pyridyl)-1-piperidyl]butyl]-8-methoxy-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-chloro-2-pyridinyl)-1-piperidinyl]butyl]-8-methoxy-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-chloropyridin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-chloro-2-pyridyl)piperidino]butyl]-8-methoxy-1,4-benzoxazepin-5-one Formula: C24H28ClN3O3 MolecularWeight: 441.95042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCN3CCC(CC3)C4=NC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCN3CCC(CC3)C4=NC(=CC=C4)Cl

InChI

InChI=1S/C24H28ClN3O3/c1-30-19-7-8-20-22(17-19)31-16-15-28(24(20)29)12-3-2-11-27-13-9-18(10-14-27)21-5-4-6-23(25)26-21/h4-8,15-18H,2-3,9-14H2,1H3