7-chloranyl-3-(chloromethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 7-chloranyl-3-(chloromethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 7-chloro-3-(chloromethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 7-chloro-3-(chloromethyl)-4-[4-(4-phenyl-1-piperazinyl)butyl]-1,4-benzoxazepin-5-one IUPAC Name: 7-chloro-3-(chloromethyl)-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 7-chloro-3-(chloromethyl)-4-[4-(4-phenylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C24H27Cl2N3O2 MolecularWeight: 460.39608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27Cl2N3O2/c25-17-21-18-31-23-9-8-19(26)16-22(23)24(30)29(21)11-5-4-10-27-12-14-28(15-13-27)20-6-2-1-3-7-20/h1-3,6-9,16,18H,4-5,10-15,17H2