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

Systemtic Name: 8-chloranyl-3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-chloro-3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-chloro-3-(chloromethyl)-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-chloro-3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-chloro-3-(chloromethyl)-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C22H25Cl2N5O2 MolecularWeight: 462.3722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=COC3=C(C2=O)C=CC(=C3)Cl)CCl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=COC3=C(C2=O)C=CC(=C3)Cl)CCl)C4=NC=CC=N4

InChI

InChI=1S/C22H25Cl2N5O2/c23-15-18-16-31-20-14-17(24)4-5-19(20)21(30)29(18)9-2-1-8-27-10-12-28(13-11-27)22-25-6-3-7-26-22/h3-7,14,16H,1-2,8-13,15H2