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

Systemtic Name: 8-chloranyl-3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-chloro-3-(chloromethyl)-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-chloro-3-(chloromethyl)-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-chloro-3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-chloro-3-(chloromethyl)-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C23H26Cl2N4O2 MolecularWeight: 461.38414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N4O2/c24-15-19-16-31-21-14-18(25)4-5-20(21)23(30)29(19)11-2-1-10-28-12-6-17(7-13-28)22-26-8-3-9-27-22/h3-5,8-9,14,16-17H,1-2,6-7,10-13,15H2