3,7-bis(chloranyl)-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-bis(chloranyl)-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dichloro-4-[4-[3-(2-pyridyl)-1-piperidyl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dichloro-4-[4-[3-(2-pyridinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dichloro-4-[4-(3-pyridin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dichloro-4-[4-[3-(2-pyridyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H25Cl2N3O2 MolecularWeight: 446.3695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCN2C(=COC3=C(C2=O)C=C(C=C3)Cl)Cl)C4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)CCCCN2C(=COC3=C(C2=O)C=C(C=C3)Cl)Cl)C4=CC=CC=N4

InChI

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