7-methoxy-3-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 7-methoxy-3-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 7-methoxy-3-methyl-4-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 7-methoxy-3-methyl-4-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 7-methoxy-3-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 7-methoxy-3-methyl-4-[4-[4-(m-tolyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C26H33N3O3 MolecularWeight: 435.55852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C(=COC4=C(C3=O)C=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C(=COC4=C(C3=O)C=C(C=C4)OC)C

InChI

InChI=1S/C26H33N3O3/c1-20-7-6-8-22(17-20)28-15-13-27(14-16-28)11-4-5-12-29-21(2)19-32-25-10-9-23(31-3)18-24(25)26(29)30/h6-10,17-19H,4-5,11-16H2,1-3H3