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

Systemtic Name: 8-chloranyl-3-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-chloro-3-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-chloro-3-methyl-4-[4-(4-phenyl-1-piperazinyl)butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-chloro-3-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-chloro-3-methyl-4-[4-(4-phenylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C24H28ClN3O2 MolecularWeight: 425.95102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28ClN3O2/c1-19-18-30-23-17-20(25)9-10-22(23)24(29)28(19)12-6-5-11-26-13-15-27(16-14-26)21-7-3-2-4-8-21/h2-4,7-10,17-18H,5-6,11-16H2,1H3