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

Systemtic Name: 3,8-dimethyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,8-dimethyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,8-dimethyl-4-[4-(4-phenyl-1-piperazinyl)butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,8-dimethyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,8-dimethyl-4-[4-(4-phenylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C25H31N3O2 MolecularWeight: 405.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-20-10-11-23-24(18-20)30-19-21(2)28(25(23)29)13-7-6-12-26-14-16-27(17-15-26)22-8-4-3-5-9-22/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3