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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N4O2/c24-14-19-16-31-21-13-18(25)6-7-20(21)23(30)29(19)12-2-1-10-28-11-3-5-17(15-28)22-26-8-4-9-27-22/h4,6-9,13,16-17H,1-3,5,10-12,14-15H2